 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer017_STD_B3LYPDBJ_augccpVDZ.in
 Output=08_d-glucose_conformer017_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-179345.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    179350.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer017_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:40:37 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer017_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.103833000000      1.009818000000     -0.209983000000
  C                                                -1.570306000000     -0.369923000000      0.212697000000
  C                                                 0.324123000000      1.253641000000      0.249838000000
  C                                                 1.222830000000      0.121513000000     -0.240321000000
  O                                                 0.705145000000     -1.138942000000      0.208674000000
  C                                                -0.586536000000     -1.430137000000     -0.281880000000
  O                                                -1.910414000000      2.042418000000      0.340859000000
  H                                                -1.128218000000      1.062960000000     -1.306660000000
  O                                                -2.866006000000     -0.568325000000     -0.328582000000
  H                                                -1.596077000000     -0.416660000000      1.310841000000
  H                                                 0.337357000000      1.266229000000      1.348141000000
  O                                                 0.825986000000      2.473522000000     -0.265600000000
  C                                                 2.640265000000      0.211823000000      0.287234000000
  H                                                 1.248854000000      0.130962000000     -1.337420000000
  O                                                -0.950649000000     -2.709583000000      0.142334000000
  H                                                -0.589437000000     -1.463330000000     -1.377835000000
  H                                                -2.823047000000      1.880045000000      0.074037000000
  H                                                -3.125518000000     -1.481971000000     -0.157714000000
  H                                                 0.162268000000      3.152342000000     -0.090965000000
  O                                                 3.454334000000     -0.829331000000     -0.219954000000
  H                                                 2.611068000000      0.195309000000      1.384726000000
  H                                                 3.082358000000      1.154012000000     -0.031043000000
  H                                                -0.805281000000     -2.757294000000      1.097051000000
  H                                                 2.999252000000     -1.661081000000     -0.040522000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:40:37 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516556   0.000000
     3  C    1.519850   2.495236   0.000000
     4  C    2.490656   2.871993   1.526317   0.000000
     5  O    2.839867   2.401892   2.423082   1.434692   0.000000
     6  C    2.495225   1.528549   2.883520   2.383936   1.412047
     7  O    1.421359   2.439567   2.371415   3.720869   4.120640
     8  H    1.098235   2.134723   2.137367   2.747877   3.241270
     9  O    2.368513   1.418162   3.719012   4.147559   3.656141
    10  H    2.142440   1.099440   2.757318   3.262203   2.651808
    11  H    2.137879   2.757790   1.098455   2.148871   2.686727
    12  O    2.422751   3.749155   1.416211   2.385387   3.645468
    13  C    3.860349   4.251222   2.539940   1.515121   2.361234
    14  H    2.752933   3.255981   2.152887   1.097448   2.073326
    15  O    3.739189   2.421350   4.164582   3.589643   2.283192
    16  H    2.782974   2.165048   3.296338   2.662701   2.073205
    17  H    1.947732   2.578942   3.213715   4.422711   4.645487
    18  H    3.209198   1.947444   4.421504   4.635312   3.863404
    19  H    2.491503   3.937051   1.935823   3.214502   4.335853
    20  O    4.915227   5.064114   3.789155   2.425722   2.799575
    21  H    4.123956   4.379158   2.763721   2.138558   2.606888
    22  H    4.192494   4.901945   2.774289   2.137217   3.311532
    23  H    3.998575   2.658361   4.252167   3.766872   2.385302
    24  H    4.898747   4.755215   3.966892   2.524527   2.365936
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.768169   0.000000
     8  H    2.749386   2.070142   0.000000
     9  O    2.437393   2.859595   2.576361   0.000000
    10  H    2.140810   2.662093   3.042939   2.079286   0.000000
    11  H    3.283434   2.582549   3.039276   4.054445   2.563528
    12  O    4.151390   2.835759   2.625339   4.784099   4.087139
    13  C    3.664992   4.905368   4.179282   5.595255   4.403335
    14  H    2.630561   4.056015   2.553436   4.294046   3.925151
    15  O    1.396251   4.852018   4.045145   2.911244   2.653202
    16  H    1.096461   4.121791   2.584084   2.661716   3.055785
    17  H    4.010731   0.964602   2.333752   2.481625   2.882706
    18  H    2.542545   3.761166   3.433068   0.965034   2.372916
    19  H    4.647179   2.390484   2.740216   4.803152   4.218366
    20  O    4.085760   6.110808   5.075577   6.326660   5.293419
    21  H    3.955290   4.994524   4.688138   5.789378   4.252062
    22  H    4.494611   5.084815   4.400504   6.199839   5.114237
    23  H    1.926304   4.983009   4.525092   3.327251   2.479845
    24  H    3.601314   6.161670   5.104852   5.973135   4.948921
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.073759   0.000000
    13  C    2.746030   2.951697   0.000000
    14  H    3.054815   2.610594   2.140576   0.000000
    15  O    4.349714   5.494308   4.631444   3.885380   0.000000
    16  H    3.967415   4.328890   4.001196   2.433663   1.998633
    17  H    3.462407   3.712548   5.716310   4.651008   4.957340
    18  H    4.670300   5.592133   6.025875   4.809198   2.515376
    19  H    2.378887   0.965306   3.863956   3.444279   5.971196
    20  O    4.070115   4.221272   1.415609   2.652364   4.803173
    21  H    2.513557   3.331718   1.098004   3.044642   4.761067
    22  H    3.074048   2.624374   1.088332   2.472850   5.587716
    23  H    4.190156   5.646174   4.619875   4.299784   0.966899
    24  H    4.193234   4.676397   1.934959   2.820861   4.090784
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.274939   0.000000
    18  H    2.814383   3.383541   0.000000
    19  H    4.850312   3.249319   5.682504   0.000000
    20  O    4.253790   6.843439   6.612433   5.167984   0.000000
    21  H    4.541592   5.838309   6.172585   4.113190   2.082302
    22  H    4.705997   5.950796   6.745530   3.538904   2.026747
    23  H    2.801070   5.159734   2.929912   6.105025   4.857557
    24  H    3.834866   6.815560   6.128509   5.587492   0.964937
                   21         22         23         24
    21  H    0.000000
    22  H    1.773592   0.000000
    23  H    4.524606   5.628912   0.000000
    24  H    2.372383   2.816335   4.119493   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1677891           0.7918127           0.4931779
 Leave Link  202 at Thu Aug 12 22:40:37 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       826.0583429574 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0393451555 Hartrees.
 Nuclear repulsion after empirical dispersion term =      826.0189978020 Hartrees.
 Leave Link  301 at Thu Aug 12 22:40:39 2021, MaxMem=  5368709120 cpu:              10.1 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  6.54D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Thu Aug 12 22:40:39 2021, MaxMem=  5368709120 cpu:               3.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:40:39 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer017_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:40:40 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -687.323762281424    
 DIIS: error= 1.98D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.323762281424     IErMin= 1 ErrMin= 1.98D-03
 ErrMax= 1.98D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.42D-03 BMatP= 9.42D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 1.98D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.286 Goal=   None    Shift=    0.000
 GapD=    0.286 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.26D-02 MaxDP=6.56D-01              OVMax= 2.36D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.26D-02    CP:  9.86D-01
 E= -687.333265569437     Delta-E=       -0.009503288013 Rises=F Damp=F
 DIIS: error= 3.26D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.333265569437     IErMin= 2 ErrMin= 3.26D-04
 ErrMax= 3.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-04 BMatP= 9.42D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.26D-03
 Coeff-Com: -0.101D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.101D-02 0.100D+01
 Gap=     0.261 Goal=   None    Shift=    0.000
 RMSDP=6.89D-04 MaxDP=6.99D-02 DE=-9.50D-03 OVMax= 3.13D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.73D-04    CP:  9.74D-01  1.03D+00
 E= -687.333116208576     Delta-E=        0.000149360861 Rises=F Damp=F
 DIIS: error= 4.36D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -687.333265569437     IErMin= 2 ErrMin= 3.26D-04
 ErrMax= 4.36D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.47D-04 BMatP= 2.02D-04
 IDIUse=3 WtCom= 3.24D-01 WtEn= 6.76D-01
 Coeff-Com: -0.149D-01 0.612D+00 0.403D+00
 Coeff-En:   0.000D+00 0.647D+00 0.353D+00
 Coeff:     -0.484D-02 0.636D+00 0.369D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=8.36D-05 MaxDP=5.39D-03 DE= 1.49D-04 OVMax= 2.02D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.25D-05    CP:  9.74D-01  1.03D+00  9.37D-01
 E= -687.333430939844     Delta-E=       -0.000314731268 Rises=F Damp=F
 DIIS: error= 2.89D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.333430939844     IErMin= 4 ErrMin= 2.89D-05
 ErrMax= 2.89D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-06 BMatP= 2.02D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.482D-02 0.157D+00 0.797D-01 0.768D+00
 Coeff:     -0.482D-02 0.157D+00 0.797D-01 0.768D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=3.09D-05 MaxDP=2.13D-03 DE=-3.15D-04 OVMax= 3.08D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.96D-05    CP:  9.74D-01  1.03D+00  9.68D-01  1.14D+00
 E= -687.333432232528     Delta-E=       -0.000001292683 Rises=F Damp=F
 DIIS: error= 1.94D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.333432232528     IErMin= 5 ErrMin= 1.94D-05
 ErrMax= 1.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-07 BMatP= 1.93D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.990D-03 0.141D-01-0.256D-02 0.389D+00 0.600D+00
 Coeff:     -0.990D-03 0.141D-01-0.256D-02 0.389D+00 0.600D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=1.00D-05 MaxDP=8.80D-04 DE=-1.29D-06 OVMax= 1.15D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.23D-06    CP:  9.74D-01  1.03D+00  9.78D-01  1.16D+00  7.53D-01
 E= -687.333432821328     Delta-E=       -0.000000588800 Rises=F Damp=F
 DIIS: error= 3.02D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.333432821328     IErMin= 6 ErrMin= 3.02D-06
 ErrMax= 3.02D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.51D-08 BMatP= 6.29D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.700D-04-0.509D-02-0.589D-02 0.108D+00 0.245D+00 0.658D+00
 Coeff:     -0.700D-04-0.509D-02-0.589D-02 0.108D+00 0.245D+00 0.658D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=2.37D-06 MaxDP=2.21D-04 DE=-5.89D-07 OVMax= 2.29D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.37D-06    CP:  9.74D-01  1.03D+00  9.81D-01  1.16D+00  7.82D-01
                    CP:  9.13D-01
 E= -687.333432841679     Delta-E=       -0.000000020351 Rises=F Damp=F
 DIIS: error= 1.15D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.333432841679     IErMin= 7 ErrMin= 1.15D-06
 ErrMax= 1.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.77D-09 BMatP= 2.51D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.402D-04-0.386D-02-0.292D-02 0.342D-01 0.946D-01 0.355D+00
 Coeff-Com:  0.523D+00
 Coeff:      0.402D-04-0.386D-02-0.292D-02 0.342D-01 0.946D-01 0.355D+00
 Coeff:      0.523D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=5.01D-07 MaxDP=4.95D-05 DE=-2.04D-08 OVMax= 9.60D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.55D-07    CP:  9.74D-01  1.03D+00  9.82D-01  1.17D+00  7.89D-01
                    CP:  9.18D-01  9.46D-01
 E= -687.333432844294     Delta-E=       -0.000000002616 Rises=F Damp=F
 DIIS: error= 3.50D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.333432844294     IErMin= 8 ErrMin= 3.50D-07
 ErrMax= 3.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-10 BMatP= 3.77D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.230D-04-0.108D-02-0.429D-03 0.209D-02 0.119D-01 0.854D-01
 Coeff-Com:  0.267D+00 0.635D+00
 Coeff:      0.230D-04-0.108D-02-0.429D-03 0.209D-02 0.119D-01 0.854D-01
 Coeff:      0.267D+00 0.635D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=1.71D-07 MaxDP=1.86D-05 DE=-2.62D-09 OVMax= 2.61D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.17D-07    CP:  9.74D-01  1.03D+00  9.82D-01  1.17D+00  7.89D-01
                    CP:  9.28D-01  9.41D-01  9.65D-01
 E= -687.333432844536     Delta-E=       -0.000000000242 Rises=F Damp=F
 DIIS: error= 8.49D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.333432844536     IErMin= 9 ErrMin= 8.49D-08
 ErrMax= 8.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-11 BMatP= 3.52D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.774D-05-0.228D-03 0.351D-04-0.141D-02-0.104D-02 0.157D-01
 Coeff-Com:  0.928D-01 0.301D+00 0.593D+00
 Coeff:      0.774D-05-0.228D-03 0.351D-04-0.141D-02-0.104D-02 0.157D-01
 Coeff:      0.928D-01 0.301D+00 0.593D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=4.56D-08 MaxDP=3.15D-06 DE=-2.42D-10 OVMax= 7.35D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.44D-08    CP:  9.74D-01  1.03D+00  9.82D-01  1.17D+00  7.88D-01
                    CP:  9.29D-01  9.56D-01  9.46D-01  8.72D-01
 E= -687.333432844570     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 3.00D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -687.333432844570     IErMin=10 ErrMin= 3.00D-08
 ErrMax= 3.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-12 BMatP= 2.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.223D-05-0.376D-04 0.516D-04-0.912D-03-0.137D-02 0.185D-02
 Coeff-Com:  0.274D-01 0.104D+00 0.308D+00 0.561D+00
 Coeff:      0.223D-05-0.376D-04 0.516D-04-0.912D-03-0.137D-02 0.185D-02
 Coeff:      0.274D-01 0.104D+00 0.308D+00 0.561D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=1.09D-08 MaxDP=9.47D-07 DE=-3.34D-11 OVMax= 2.25D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.84D-09    CP:  9.74D-01  1.03D+00  9.82D-01  1.17D+00  7.88D-01
                    CP:  9.30D-01  9.57D-01  9.48D-01  8.64D-01  8.91D-01
 E= -687.333432844615     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 8.89D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -687.333432844615     IErMin=11 ErrMin= 8.89D-09
 ErrMax= 8.89D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-13 BMatP= 2.47D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.465D-06 0.108D-05 0.216D-04-0.347D-03-0.577D-03-0.518D-03
 Coeff-Com:  0.485D-02 0.236D-01 0.970D-01 0.287D+00 0.589D+00
 Coeff:      0.465D-06 0.108D-05 0.216D-04-0.347D-03-0.577D-03-0.518D-03
 Coeff:      0.485D-02 0.236D-01 0.970D-01 0.287D+00 0.589D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=4.15D-09 MaxDP=2.05D-07 DE=-4.50D-11 OVMax= 8.04D-08

 SCF Done:  E(RB3LYP) =  -687.333432845     A.U. after   11 cycles
            NFock= 11  Conv=0.42D-08     -V/T= 2.0057
 KE= 6.834355622962D+02 PE=-3.264279674441D+03 EE= 1.067491681498D+03
 Leave Link  502 at Thu Aug 12 22:43:22 2021, MaxMem=  5368709120 cpu:            1294.1 elap:             162.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.69464591D+02

 Leave Link  801 at Thu Aug 12 22:43:22 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 2.03D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 2.34D-01 6.09D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 5.51D-02 2.68D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 4.14D-03 1.19D-02.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 7.78D-04 2.92D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 4.90D-05 1.00D-03.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 1.05D-06 9.46D-05.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 2.72D-08 1.38D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 5.33D-10 2.00D-06.
      9 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 9.01D-12 3.27D-07.
      4 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 7.71D-14 2.07D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.113383D+03
      2  0.147698D+01  0.107592D+03
      3  0.344018D+00 -0.386199D+00  0.873146D+02
 Isotropic polarizability for W=    0.088559      102.76 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.292895D+02 -0.175461D+02 -0.982224D+01
      2  -0.259373D+02  0.191914D+02  0.420351D+01
      3  -0.335215D+01 -0.164529D+01  0.561873D+01
      4  -0.229227D+01 -0.111585D+02  0.185932D+01
      5  -0.239230D+01  0.240457D+01  0.107243D+02
      6  -0.381785D+01  0.783293D+01  0.186988D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.229910D+00 -0.396412D+01 -0.196493D+01
      2  -0.289901D+01  0.190922D+01  0.657563D+01
      3   0.119897D+02 -0.123703D+02 -0.336089D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.545255D+00  0.362943D+01 -0.351517D+01
      2  -0.742994D+01  0.567716D+01  0.140764D+02
      3   0.152538D+02 -0.147788D+02 -0.622242D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.589520D+00  0.124072D+01 -0.103886D+01
      2   0.124072D+01 -0.146199D+00  0.136086D+01
      3  -0.103886D+01  0.136086D+01 -0.486039D+00
 OR G Eigenvalues:    -2.8352     0.4853     1.1281  Iso=     0.4073
 Eigenvectors:
   (1)   0.582470  -0.564670   0.584702
   (2)   0.761783   0.128259  -0.635009
   (3)   0.283577   0.815290   0.504863
 w=    0.088559 a.u., Optical Rotation Beta=      0.4073 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      114.63 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.19D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.11D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.98D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 8.54D-02 3.18D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 1.85D-03 4.51D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 2.33D-05 3.84D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 1.91D-07 3.92D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 8.91D-10 2.10D-06.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 3.25D-12 1.32D-07.
     18 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 8.45D-15 6.98D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   228 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 4.22D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 4.22D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.95D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113383D+03  0.147698D+01  0.344018D+00
      2   0.147698D+01  0.107592D+03 -0.386199D+00
      3   0.344018D+00 -0.386199D+00  0.873146D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.229910D+00 -0.396412D+01 -0.196493D+01
      2  -0.289901D+01  0.190922D+01  0.657563D+01
      3   0.119897D+02 -0.123703D+02 -0.336089D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.292895D+02 -0.175461D+02 -0.982224D+01
      2  -0.259373D+02  0.191914D+02  0.420351D+01
      3  -0.335215D+01 -0.164529D+01  0.561873D+01
      4  -0.229227D+01 -0.111585D+02  0.185932D+01
      5  -0.239230D+01  0.240457D+01  0.107243D+02
      6  -0.381785D+01  0.783293D+01  0.186988D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.250061D+01 -0.243052D+01 -0.973768D+00 -0.265733D+01  0.260528D+01
      2  -0.243052D+01  0.313415D+01  0.229523D+00  0.260528D+01  0.285757D+00
      3  -0.973768D+00  0.229523D+00 -0.931731D+00  0.340257D+00 -0.931397D+00
                 6             7             8             9            10 
      1   0.340257D+00 -0.142262D+01  0.684048D+00 -0.145593D+00  0.333796D+01
      2  -0.931397D+00  0.684048D+00 -0.159920D+01 -0.572455D+00  0.183159D+01
      3   0.647241D+00 -0.145593D+00 -0.572455D+00  0.895779D+01  0.126404D+01
                11            12            13            14            15 
      1   0.183159D+01  0.126404D+01  0.179242D+01 -0.239852D+01 -0.235151D+00
      2  -0.167610D+01  0.163234D-01 -0.239852D+01 -0.134198D+01  0.522502D+00
      3   0.163234D-01 -0.193026D+01 -0.235151D+00  0.522502D+00  0.617483D+00
                16            17            18            19            20 
      1   0.241851D+01 -0.160860D+00 -0.651850D-01  0.200285D+01  0.233297D+01
      2  -0.160860D+00  0.551637D+00  0.518344D+00  0.233297D+01 -0.263954D+01
      3  -0.651850D-01  0.518344D+00 -0.926925D+01  0.796754D+00  0.165038D+00
                21            22            23            24            25 
      1   0.796754D+00  0.172001D+01 -0.347576D+01 -0.160534D-01  0.117902D+01
      2   0.165038D+00 -0.347576D+01 -0.171906D+01  0.104239D+01  0.448251D+00
      3   0.419553D+00 -0.160534D-01  0.104239D+01  0.133504D+01 -0.272921D+00
                26            27            28            29            30 
      1   0.448251D+00 -0.272921D+00 -0.209219D+01 -0.629433D-02 -0.994545D+00
      2   0.213322D+01  0.511350D+00 -0.629433D-02  0.308135D+01 -0.352220D+00
      3   0.511350D+00 -0.875946D+01 -0.994545D+00 -0.352220D+00 -0.521445D+00
                31            32            33            34            35 
      1   0.685289D+00  0.432768D+01  0.497349D+00 -0.152027D+01  0.162995D+00
      2   0.432768D+01  0.232259D+01 -0.101137D+01  0.162995D+00 -0.151218D+01
      3   0.497349D+00 -0.101137D+01 -0.827286D+00 -0.172657D+00  0.150898D+00
                36            37            38            39            40 
      1  -0.172657D+00  0.627526D+01 -0.226633D+00  0.748644D+00 -0.158549D+01
      2   0.150898D+00 -0.226633D+00 -0.258271D+00 -0.526441D+00 -0.802333D+00
      3   0.920412D+01  0.748644D+00 -0.526441D+00 -0.307792D+00 -0.245887D+00
                41            42            43            44            45 
      1  -0.802333D+00 -0.245887D+00  0.292150D+01  0.592887D+00  0.401028D+00
      2  -0.414507D+01  0.750297D+00  0.592887D+00  0.172543D+01 -0.428556D+00
      3   0.750297D+00  0.610134D+00  0.401028D+00 -0.428556D+00 -0.189728D+01
                46            47            48            49            50 
      1  -0.393000D+01 -0.305056D+01 -0.614471D+00 -0.138394D+01  0.199772D+01
      2  -0.305056D+01  0.102407D+01  0.842490D+00  0.199772D+01  0.121508D+01
      3  -0.614471D+00  0.842490D+00  0.525208D+00  0.234734D-01 -0.235309D+00
                51            52            53            54            55 
      1   0.234734D-01 -0.213346D+01  0.194078D+00  0.121010D-01  0.378148D+01
      2  -0.235309D+00  0.194078D+00 -0.109820D+01 -0.107746D+00  0.187751D+01
      3  -0.251676D+01  0.121010D-01 -0.107746D+00  0.918689D+01  0.140011D+01
                56            57            58            59            60 
      1   0.187751D+01  0.140011D+01  0.327174D+01 -0.287538D+01 -0.231341D+00
      2  -0.140471D+01 -0.817086D-01 -0.287538D+01  0.658220D+01  0.113730D+01
      3  -0.817086D-01  0.943461D+00 -0.231341D+00  0.113730D+01  0.301957D-01
                61            62            63            64            65 
      1   0.296886D+01 -0.120777D+01 -0.559934D+00  0.451412D+00  0.352683D+00
      2  -0.120777D+01  0.232453D+01  0.137725D+01  0.352683D+00 -0.575805D+00
      3  -0.559934D+00  0.137725D+01  0.559868D-01 -0.909041D+00  0.675711D-01
                66            67            68            69            70 
      1  -0.909041D+00  0.456277D+00 -0.488602D+00  0.780775D-01 -0.184024D+01
      2   0.675711D-01 -0.488602D+00  0.392856D-01 -0.100580D+01  0.179939D+00
      3  -0.563892D-02  0.780775D-01 -0.100580D+01  0.305869D+00 -0.367256D+00
                71            72            73            74            75 
      1   0.179939D+00 -0.367256D+00 -0.769525D+01  0.540971D-01 -0.109971D+01
      2  -0.173878D+01  0.694769D+00  0.540971D-01  0.863788D+00 -0.221508D+00
      3   0.694769D+00 -0.780177D+01 -0.109971D+01 -0.221508D+00  0.825286D+00
                76            77            78            79            80 
      1   0.329255D+01  0.118397D+01  0.195530D+00 -0.305803D+01 -0.642734D+00
      2   0.118397D+01  0.459068D+01 -0.906986D+00 -0.642734D+00 -0.133700D+01
      3   0.195530D+00 -0.906986D+00  0.101752D+01 -0.127868D+01 -0.696112D-01
                81            82            83            84            85 
      1  -0.127868D+01 -0.610681D+00 -0.303122D+00  0.973318D+00 -0.418968D+00
      2  -0.696112D-01 -0.303122D+00  0.449387D+00  0.456584D-02  0.351296D+00
      3  -0.732689D-01  0.973318D+00  0.456584D-02  0.693967D-01  0.358948D-01
                86            87            88            89            90 
      1   0.351296D+00  0.358948D-01  0.182174D+01  0.205094D+00 -0.505406D+00
      2   0.728188D-01  0.107786D+01  0.205094D+00  0.172124D+01 -0.521015D+00
      3   0.107786D+01 -0.631045D+00 -0.505406D+00 -0.521015D+00  0.802021D+01
                91            92            93            94            95 
      1  -0.107350D+00 -0.464586D+00  0.959627D+00 -0.320592D+00  0.576039D+00
      2  -0.464586D+00  0.501617D+00  0.583697D-01  0.576039D+00  0.416719D+00
      3   0.959627D+00  0.583697D-01  0.447296D-01  0.938146D-01  0.100658D+01
                96            97            98            99           100 
      1   0.938146D-01  0.181065D+01 -0.718274D-01  0.348616D+00  0.406978D+01
      2   0.100658D+01 -0.718274D-01  0.179617D+01  0.375384D+00  0.505637D+00
      3   0.201015D-01  0.348616D+00  0.375384D+00  0.786663D+01 -0.909908D+00
               101           102           103           104           105 
      1   0.505637D+00 -0.909908D+00 -0.307062D+00  0.413023D+01  0.668348D-01
      2   0.585298D+01 -0.116189D+00  0.413023D+01  0.223158D+01 -0.901323D+00
      3  -0.116189D+00  0.446262D+00  0.668348D-01 -0.901323D+00 -0.937202D+00
               106           107           108           109           110 
      1  -0.119835D+01 -0.320418D+00  0.843295D+00  0.290083D+01  0.264598D+00
      2  -0.320418D+00 -0.264247D+01  0.100360D+01  0.264598D+00 -0.230543D+01
      3   0.843295D+00  0.100360D+01  0.286002D-01  0.174171D+01  0.421214D+00
               111           112           113           114           115 
      1   0.174171D+01  0.522993D+00 -0.432413D+01  0.508150D-01  0.232898D+01
      2   0.421214D+00 -0.432413D+01 -0.288290D+01  0.128624D+01 -0.227023D+00
      3   0.145071D+01  0.508150D-01  0.128624D+01 -0.692502D+00 -0.737816D+00
               116           117           118           119           120 
      1  -0.227023D+00 -0.737816D+00  0.108709D+01  0.218555D+00 -0.101388D+01
      2   0.155571D+01 -0.159125D+01  0.218555D+00 -0.323753D+00  0.664356D-01
      3  -0.159125D+01 -0.818747D+01 -0.101388D+01  0.664356D-01  0.743459D+00
               121           122           123           124           125 
      1   0.192057D+00 -0.423449D+00 -0.280697D+00 -0.213859D+01 -0.202819D+00
      2  -0.423449D+00 -0.194697D-01 -0.100450D+01 -0.202819D+00 -0.157508D+01
      3  -0.280697D+00 -0.100450D+01  0.146495D+00  0.102225D+01  0.204426D+00
               126           127           128           129           130 
      1   0.102225D+01 -0.106550D+01 -0.144024D+01  0.206930D+00 -0.172225D+01
      2   0.204426D+00 -0.144024D+01 -0.136395D+01  0.233331D+00 -0.153681D+01
      3  -0.782266D+01  0.206930D+00  0.233331D+00 -0.301427D+00 -0.110706D+00
               131           132           133           134           135 
      1  -0.153681D+01 -0.110706D+00 -0.245829D+00 -0.191155D+00 -0.151765D+00
      2  -0.868636D+01 -0.414579D+00 -0.191155D+00 -0.223064D+01  0.112335D+01
      3  -0.414579D+00  0.135966D+01 -0.151765D+00  0.112335D+01 -0.587529D+01
               136           137           138           139           140 
      1   0.180467D+00  0.899681D-01 -0.114998D+01  0.112939D+00 -0.460138D+00
      2   0.899681D-01 -0.260348D+00 -0.193528D+00 -0.460138D+00 -0.103397D+01
      3  -0.114998D+01 -0.193528D+00 -0.166008D+00  0.194602D-01 -0.980552D+00
               141           142           143           144           145 
      1   0.194602D-01 -0.178294D+01 -0.504287D+00 -0.445392D+00 -0.935341D+01
      2  -0.980552D+00 -0.504287D+00 -0.187037D+01 -0.152466D+01  0.197679D+01
      3  -0.259973D+00 -0.445392D+00 -0.152466D+01 -0.817830D+01 -0.511843D+00
               146           147           148           149           150 
      1   0.197679D+01 -0.511843D+00  0.192563D-01 -0.734103D+00  0.196450D-01
      2  -0.211287D+01 -0.797670D-01 -0.734103D+00  0.365660D+00 -0.243106D+00
      3  -0.797670D-01 -0.132027D+01  0.196450D-01 -0.243106D+00  0.167983D+00
               151           152           153           154           155 
      1  -0.163929D+01  0.310603D+00 -0.104938D+01 -0.302234D+01 -0.215734D+01
      2   0.310603D+00 -0.581797D+00  0.407442D+00 -0.215734D+01 -0.240400D+01
      3  -0.104938D+01  0.407442D+00 -0.107080D+00  0.140490D+00  0.138404D-01
               156           157           158           159           160 
      1   0.140490D+00 -0.463761D+01 -0.341193D+01 -0.199929D+00  0.751717D+00
      2   0.138404D-01 -0.341193D+01 -0.602021D+01  0.209537D+00  0.343867D+00
      3  -0.678574D+00 -0.199929D+00  0.209537D+00 -0.108417D+01 -0.837862D+00
               161           162           163           164           165 
      1   0.343867D+00 -0.837862D+00 -0.204633D+01  0.149383D+01  0.229569D+00
      2   0.693110D+00 -0.656728D+00  0.149383D+01 -0.401346D+01  0.717650D-01
      3  -0.656728D+00 -0.221327D-01  0.229569D+00  0.717650D-01 -0.502809D+00
               166           167           168           169           170 
      1   0.184151D+01 -0.147406D+01 -0.100284D+00  0.390394D+00 -0.154805D+00
      2  -0.147406D+01  0.739603D+01  0.135063D+00 -0.154805D+00  0.830772D+00
      3  -0.100284D+00  0.135063D+00  0.113395D+01 -0.143983D+00  0.960513D+00
               171           172           173           174           175 
      1  -0.143983D+00  0.779922D+01 -0.237965D+01 -0.138036D+01 -0.990353D+00
      2   0.960513D+00 -0.237965D+01  0.330944D+01 -0.484608D-01  0.348715D+01
      3  -0.103737D+00 -0.138036D+01 -0.484608D-01  0.249976D+00 -0.941842D-02
               176           177           178           179           180 
      1   0.348715D+01 -0.941842D-02 -0.239982D+01  0.692122D+00  0.169379D+01
      2   0.197170D+01 -0.676383D+00  0.692122D+00 -0.144379D+01 -0.528071D+00
      3  -0.676383D+00  0.103088D+01  0.169379D+01 -0.528071D+00 -0.464238D+00
               181           182           183           184           185 
      1  -0.341984D+00  0.339808D+00  0.106023D+01 -0.289100D+00  0.739587D+00
      2   0.339808D+00  0.253450D+00 -0.100415D+00  0.739587D+00  0.481975D+00
      3   0.106023D+01 -0.100415D+00 -0.281617D+00 -0.794903D-02  0.984789D+00
               186           187           188           189           190 
      1  -0.794903D-02  0.239473D+01 -0.180629D+00  0.139808D+01  0.276822D+01
      2   0.984789D+00 -0.180629D+00  0.150841D+01  0.126953D+01  0.211589D+01
      3  -0.118185D+00  0.139808D+01  0.126953D+01  0.876131D+01 -0.686092D+00
               191           192           193           194           195 
      1   0.211589D+01 -0.686092D+00  0.338516D+01  0.282814D+01 -0.210692D+00
      2   0.219773D+01 -0.215216D+00  0.282814D+01  0.560664D+01 -0.841865D+00
      3  -0.215216D+00  0.604452D+00 -0.210692D+00 -0.841865D+00  0.863054D+00
               196           197           198           199           200 
      1  -0.163185D+01 -0.406338D+00  0.927876D+00 -0.189240D+00 -0.487759D+00
      2  -0.406338D+00 -0.155071D+01  0.106342D+01 -0.487759D+00  0.267879D+00
      3   0.927876D+00  0.106342D+01 -0.144917D+00  0.495930D+00 -0.256994D+00
               201           202           203           204           205 
      1   0.495930D+00 -0.399609D+00 -0.189244D-01  0.480340D-01  0.147548D+01
      2  -0.256994D+00 -0.189244D-01 -0.147696D+01  0.832072D+00  0.383432D+00
      3   0.623801D+00  0.480340D-01  0.832072D+00 -0.900644D+00 -0.171624D+00
               206           207           208           209           210 
      1   0.383432D+00 -0.171624D+00 -0.169969D+01 -0.507229D+00  0.226250D+00
      2   0.352839D+01 -0.295505D+01 -0.507229D+00 -0.159761D+01  0.197970D-02
      3  -0.295505D+01  0.658596D+01  0.226250D+00  0.197970D-02  0.127848D-02
               211           212           213           214           215 
      1  -0.257987D+01  0.197044D+00  0.178922D+00  0.549695D+00  0.733523D-01
      2   0.197044D+00 -0.625274D+01  0.168538D+00  0.733523D-01  0.811596D+00
      3   0.178922D+00  0.168538D+00 -0.131784D+01  0.258415D+00 -0.705128D+00
               216 
      1   0.258415D+00
      2  -0.705128D+00
      3   0.393393D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124949D+01  0.128599D+00 -0.820478D+00 -0.171754D+01  0.746869D+00
      2   0.159978D+01 -0.284154D+00  0.323271D+00 -0.286300D+00  0.241295D+01
      3  -0.367196D+01 -0.177316D+01 -0.116096D+01  0.334924D+01  0.189023D+01
                 6             7             8             9            10 
      1  -0.287119D+00  0.174449D+00  0.413469D+01 -0.807690D+01  0.863686D+00
      2   0.484506D+00 -0.294696D+01  0.280977D+00 -0.910878D+01 -0.192638D+01
      3  -0.207510D+00  0.208661D+00 -0.156559D+01 -0.822259D+00  0.807610D+00
                11            12            13            14            15 
      1  -0.767901D+00 -0.592597D+00  0.379724D+00 -0.167443D+01 -0.601168D+00
      2  -0.128026D+01  0.155537D+01 -0.145599D+00 -0.257430D+01 -0.187345D+01
      3  -0.589992D+01 -0.856505D+00  0.373799D-01 -0.377737D+00  0.210258D+01
                16            17            18            19            20 
      1  -0.932506D+00  0.243557D+01 -0.457770D+01 -0.889406D+00 -0.290145D+00
      2  -0.334401D+01 -0.135065D+01  0.120049D+02 -0.129696D+01  0.290656D+00
      3  -0.147892D+01  0.134495D+01  0.924280D+00  0.185250D+01  0.811475D+00
                21            22            23            24            25 
      1   0.649124D+00 -0.410070D+00 -0.192924D+01 -0.215603D+00  0.135956D+01
      2   0.124675D+01 -0.986282D+00  0.298273D+00 -0.228621D+00 -0.362584D+01
      3   0.128402D+01  0.628266D+01 -0.474912D+01 -0.125782D+01  0.133103D+01
                26            27            28            29            30 
      1   0.263371D+01  0.964653D+01  0.848667D+00 -0.484625D+00  0.159664D+01
      2  -0.576525D-01 -0.200448D+01 -0.182355D+01 -0.709790D+00 -0.795972D+00
      3   0.417344D+00 -0.963696D+00 -0.605702D+01 -0.895772D+01 -0.215747D+00
                31            32            33            34            35 
      1  -0.123101D+01  0.108205D+01  0.227878D+01  0.176459D+01  0.325451D+01
      2  -0.776869D+00 -0.162141D+01 -0.238798D+01 -0.501440D+01  0.206139D+01
      3  -0.699723D+01 -0.272500D+01  0.227541D+01 -0.358909D+00  0.124107D+01
                36            37            38            39            40 
      1  -0.377650D+01  0.110207D+01  0.514216D+00 -0.333538D+01  0.906775D+00
      2   0.160969D+02  0.733663D+00  0.460172D+00  0.922498D+01  0.247109D+00
      3  -0.419777D+00 -0.903138D+01 -0.711027D+01 -0.104060D+01  0.120881D+02
                41            42            43            44            45 
      1   0.695618D+00 -0.638157D+01  0.266670D+01  0.475622D+01 -0.643953D+00
      2   0.138083D+01  0.248945D+01 -0.539302D+01 -0.261568D+01  0.434499D+00
      3   0.557575D+01 -0.102285D+01 -0.379820D+01 -0.223001D+01 -0.338021D+00
                46            47            48            49            50 
      1  -0.826321D+00  0.893274D-01  0.251766D+01 -0.349948D+00 -0.939442D+00
      2   0.113893D+01  0.238620D+00 -0.585984D+01 -0.601939D+00  0.142986D+01
      3   0.327905D+01  0.569916D+01  0.132415D+01  0.328653D+01  0.125374D+01
                51            52            53            54            55 
      1  -0.173506D+01 -0.162558D+01  0.246279D+01  0.142594D+02 -0.305058D+01
      2   0.327450D+00 -0.442741D+01 -0.170668D+01 -0.958525D+01 -0.665313D+01
      3  -0.142176D+01  0.302908D+01 -0.148006D+01  0.427203D-01  0.156993D+02
                56            57            58            59            60 
      1   0.989852D-01  0.454365D+00  0.154760D+01 -0.215270D+01 -0.549104D+01
      2   0.198821D+01  0.146443D+01  0.451474D+00 -0.199265D+01 -0.264554D+01
      3  -0.213633D+01  0.242510D+01  0.820992D+01  0.907088D+01  0.967611D+00
                61            62            63            64            65 
      1   0.301469D+00  0.120152D+01 -0.194874D+01  0.684667D+00 -0.131426D+00
      2  -0.410942D+01 -0.141421D+01 -0.196804D+01  0.160921D+01 -0.350827D+00
      3   0.547766D+01  0.362569D+01  0.147329D+01  0.869822D+00 -0.133824D+01
                66            67            68            69            70 
      1  -0.566784D+00 -0.191764D+00  0.140113D+01 -0.815032D+00 -0.141159D+00
      2   0.901386D+00 -0.100947D+00  0.740609D+00  0.339024D+00 -0.395362D+01
      3  -0.603100D+00  0.105884D+01 -0.490052D+00 -0.907393D+00 -0.206333D+01
                71            72            73            74            75 
      1   0.380451D+01  0.765156D+01 -0.174149D+01 -0.830517D+00 -0.106588D+00
      2  -0.335323D+00  0.877955D+01  0.371044D+01  0.194268D+01  0.588573D+01
      3  -0.186198D+01  0.611364D+00  0.787598D+01 -0.331413D+01  0.234374D+00
                76            77            78            79            80 
      1  -0.264574D+01 -0.290132D+01 -0.819491D+00  0.681729D+00  0.403653D+01
      2   0.962881D+00  0.345065D+01 -0.230979D+01 -0.438208D+00 -0.452894D+00
      3   0.489313D+01  0.195232D+02 -0.208280D+01  0.142364D+01 -0.523605D+01
                81            82            83            84            85 
      1  -0.652104D+00  0.354786D+00  0.428180D+00  0.577622D+00  0.691891D+00
      2   0.224003D+01 -0.192897D+01 -0.355147D-01  0.399621D+00  0.272780D+00
      3   0.620380D+00 -0.828030D-01 -0.173322D+00 -0.248787D+00  0.177040D+01
                86            87            88            89            90 
      1   0.731015D+00 -0.192463D+01  0.169969D+00  0.429019D+01  0.286338D+01
      2  -0.161519D+01  0.406260D+00 -0.362405D+01  0.604348D+00 -0.122919D+02
      3   0.336682D+00  0.108824D+01 -0.606947D+00  0.280619D+01 -0.938172D-01
                91            92            93            94            95 
      1  -0.161137D+01  0.651313D-01  0.277522D+00 -0.206446D+00 -0.140781D+01
      2   0.252233D+00  0.795398D+00  0.786760D+00  0.703679D+00  0.232850D+00
      3   0.113412D+00 -0.173031D+01  0.108356D+01  0.498066D+00  0.508401D+00
                96            97            98            99           100 
      1  -0.540991D+00 -0.484530D+00  0.384020D+01 -0.983801D+01  0.233546D+01
      2  -0.386583D+00 -0.482132D+01  0.109788D+00  0.177784D+01  0.201931D+00
      3  -0.112179D+00  0.252316D+01 -0.910435D+00  0.323858D+00  0.141740D+02
               101           102           103           104           105 
      1  -0.921893D+00 -0.360197D+01 -0.539724D+00  0.472949D+01 -0.389674D+01
      2  -0.157815D+01  0.323427D+01  0.454479D+00  0.599956D+00  0.159288D+01
      3  -0.110875D+02 -0.173460D+01 -0.924680D+00  0.962516D+01  0.110516D+01
               106           107           108           109           110 
      1  -0.227998D+01  0.225334D+01  0.194527D+01 -0.190755D+01 -0.120726D+01
      2  -0.221330D+01  0.102622D+01 -0.467737D+00  0.393659D+01  0.146454D+01
      3  -0.450567D+01  0.143635D+01  0.114674D+01  0.346753D+01  0.620047D+01
               111           112           113           114           115 
      1  -0.257420D+01 -0.259351D+01 -0.325339D+01  0.738571D+00  0.119935D+00
      2   0.275058D+01  0.185269D+01  0.507461D+01  0.586620D-01 -0.677236D+01
      3  -0.728940D+00  0.160426D+02  0.512227D+01 -0.383424D+01  0.102312D+01
               116           117           118           119           120 
      1   0.212843D+01  0.532923D+01  0.320040D+00  0.490556D+00  0.423938D+00
      2  -0.422338D+01 -0.217497D+02 -0.116347D+01  0.280994D+00  0.218157D+01
      3  -0.506458D+01  0.426501D+01 -0.102576D+00  0.264592D+00 -0.507618D+00
               121           122           123           124           125 
      1   0.239301D+00  0.675800D-01 -0.768778D+00 -0.816609D-01  0.401160D+01
      2  -0.436894D+00 -0.165303D+01  0.255933D+00 -0.366048D+01 -0.153831D-01
      3   0.270765D+01 -0.709053D+00  0.153100D+01 -0.231666D+00  0.292735D+01
               126           127           128           129           130 
      1   0.250911D+01  0.131105D+00  0.166341D-01 -0.195675D+01 -0.330861D-01
      2  -0.116717D+02  0.110002D+00 -0.185090D+01  0.513646D+01  0.471987D+00
      3  -0.111895D+01  0.296534D+01 -0.224719D+01  0.826117D+00  0.997379D+01
               131           132           133           134           135 
      1  -0.180280D+00 -0.371361D+01  0.488664D+00  0.658614D+01 -0.185115D+02
      2   0.153480D+00 -0.140877D+00  0.279799D+00 -0.950745D+00  0.499198D+01
      3  -0.442046D+01 -0.155853D-01  0.609807D+00 -0.558468D+00  0.195305D+01
               136           137           138           139           140 
      1  -0.205666D+01 -0.209129D+00 -0.536506D+00  0.333547D+00 -0.116013D+01
      2   0.980752D+00  0.252998D+00  0.102733D+01  0.703411D+00  0.711431D+00
      3  -0.846317D-01 -0.179727D+01  0.198690D+01  0.284757D+00  0.373086D+00
               141           142           143           144           145 
      1  -0.983304D+00 -0.110764D+00  0.270804D+01 -0.124086D+02  0.177028D+01
      2   0.303843D-02 -0.413472D+01  0.859150D+00  0.728771D+01  0.527611D+01
      3  -0.547479D+00  0.337634D+01 -0.410700D+00  0.562926D+00 -0.193709D+02
               146           147           148           149           150 
      1   0.162357D-01  0.260579D+01 -0.192837D-02  0.621699D+00 -0.531009D-01
      2  -0.678571D+00  0.473827D+01  0.119366D+00  0.555578D+00 -0.128726D+00
      3  -0.318142D+01 -0.182401D+01 -0.178776D+01 -0.257870D+01 -0.689935D+00
               151           152           153           154           155 
      1   0.196969D+01  0.152843D+00  0.231596D+00  0.108650D+01  0.112957D+01
      2   0.232528D+01 -0.979914D+00  0.738913D+00 -0.999873D+00 -0.766319D+00
      3  -0.411495D+01 -0.130888D+01 -0.125533D+01 -0.492333D+01 -0.622159D+01
               156           157           158           159           160 
      1  -0.117377D+01  0.184439D+01  0.290043D+01 -0.237266D+01 -0.116500D+01
      2   0.200517D+01 -0.944114D+00 -0.229920D+01  0.388190D+01  0.111920D+01
      3  -0.172269D+00 -0.471402D+01 -0.205803D+02  0.116435D+01 -0.641804D-01
               161           162           163           164           165 
      1  -0.175613D-01  0.429799D+00 -0.146206D+01  0.130486D+01  0.241052D+01
      2   0.197157D+01  0.116929D+00 -0.322544D+00  0.758682D+00 -0.973128D-01
      3   0.287215D+01 -0.984023D+00 -0.112328D+02  0.804457D+01  0.109281D+01
               166           167           168           169           170 
      1   0.114080D+01 -0.230974D+01 -0.402842D+01  0.608652D+00 -0.178933D+01
      2   0.399831D+00 -0.100565D+01 -0.242601D+00 -0.105834D+01  0.162208D+00
      3   0.922677D+01 -0.117424D+02 -0.550560D+00  0.220488D+01 -0.137549D+01
               171           172           173           174           175 
      1  -0.371496D-01 -0.410838D+00 -0.565848D+00  0.361087D+01  0.426338D+00
      2  -0.279501D+00 -0.464687D+01  0.114784D+01  0.669022D+01 -0.130355D+01
      3  -0.951774D+00  0.164196D+01 -0.190708D+02 -0.923288D-01 -0.108512D+02
               176           177           178           179           180 
      1  -0.263285D+01 -0.337955D+01 -0.231696D+00  0.432390D+01 -0.196959D+01
      2  -0.232972D+01 -0.221647D-01  0.242191D+01 -0.168073D+01 -0.262696D+01
      3  -0.100063D+02  0.256921D+01  0.272032D+00  0.589006D+01  0.152300D+01
               181           182           183           184           185 
      1  -0.289272D+00 -0.565157D-01 -0.322052D-01  0.327280D+00 -0.257147D+00
      2   0.406192D+01 -0.769953D+00 -0.384977D+00 -0.193616D+00  0.255366D+01
      3  -0.135121D+01 -0.120463D+01  0.736109D+00 -0.952294D+00 -0.986752D+00
               186           187           188           189           190 
      1  -0.116646D+00 -0.110204D+01  0.363409D+01 -0.421654D+01  0.148774D+01
      2  -0.300802D+00 -0.148842D+01  0.407018D+01  0.240022D+02 -0.251034D+01
      3  -0.240835D+01  0.167679D+01 -0.436485D+01 -0.338090D+01 -0.427433D+01
               191           192           193           194           195 
      1   0.816830D+00 -0.134973D+01  0.116929D+01  0.230589D+01 -0.269022D+01
      2  -0.110783D+01  0.282248D+01 -0.115454D+01 -0.350851D+01  0.337784D+01
      3  -0.636806D+01  0.259892D+00 -0.363052D+01 -0.168527D+02  0.263247D+01
               196           197           198           199           200 
      1  -0.964222D+00 -0.127274D+00  0.477431D+00  0.156810D+01 -0.402581D+00
      2   0.177996D+01  0.318696D+01 -0.736216D+00 -0.120199D+01 -0.256679D+00
      3  -0.284130D+00  0.493161D+01 -0.256171D+01 -0.667782D+00  0.607921D+00
               201           202           203           204           205 
      1   0.218939D+01  0.188033D+00  0.313220D+01 -0.287866D+01 -0.608832D+00
      2  -0.728798D+00 -0.650127D+00 -0.121379D+01  0.101094D+01 -0.277480D+01
      3  -0.147407D+01  0.100473D+01 -0.129285D+01  0.688807D+00 -0.411054D+01
               206           207           208           209           210 
      1  -0.645365D+01  0.208516D+02  0.442950D+00  0.768722D+00 -0.666492D+00
      2   0.277923D+01 -0.592315D+01  0.103584D+01 -0.144971D+00 -0.850465D+00
      3   0.212681D+01 -0.264003D+01  0.736697D+01  0.818651D+01 -0.401117D+00
               211           212           213           214           215 
      1   0.552473D+00  0.257765D+01 -0.298124D+01  0.159959D+00 -0.463848D+00
      2   0.941104D+00  0.218716D+00 -0.356075D+01 -0.816058D+00 -0.206725D+01
      3   0.583368D+01  0.249705D+02 -0.895988D+00 -0.153874D+01 -0.325248D+01
               216 
      1   0.269928D+00
      2  -0.228533D+00
      3   0.208368D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.728591D+01 -0.127487D+01  0.218542D+00  0.559711D+01 -0.106695D+01
      2  -0.661860D+01  0.973643D+01 -0.975036D+00  0.157274D+01 -0.564916D+01
      3  -0.667316D+00 -0.846156D+01  0.756493D+00 -0.716985D+01  0.671611D+01
      4   0.713528D+01 -0.121176D+02 -0.137254D+01 -0.160307D+02  0.861817D+01
      5   0.328210D+01 -0.171391D+01 -0.217643D+01 -0.369716D+01  0.151125D+01
      6  -0.111636D+01  0.291058D+01  0.247733D+01  0.316810D+01 -0.313661D+01
                 6             7             8             9            10 
      1   0.344130D+00  0.369192D+01  0.712530D+00  0.708744D+01 -0.194891D+02
      2   0.807984D-01  0.114510D+01 -0.568244D+01  0.513595D+01  0.962144D+01
      3  -0.424929D+00 -0.483702D+01  0.496991D+01 -0.122234D+02  0.986763D+01
      4   0.221188D+01 -0.395843D+01  0.743591D+01  0.106652D+01 -0.639950D+01
      5   0.204989D+01  0.154159D+01  0.223797D+01 -0.216410D+02 -0.671545D+01
      6  -0.463008D+01  0.113107D+01  0.224190D+00  0.191663D+02 -0.114148D+01
                11            12            13            14            15 
      1  -0.708864D+01 -0.134603D+01 -0.932784D+01  0.670194D+01  0.107256D+01
      2   0.311607D+01  0.399941D+01  0.589026D+01 -0.214171D+01 -0.390292D+00
      3   0.397257D+01 -0.265339D+01  0.343758D+01 -0.456024D+01 -0.682265D+00
      4  -0.205963D+01 -0.671782D+00  0.643354D+01  0.236903D+01 -0.542714D+00
      5  -0.141069D+01 -0.743765D+00 -0.195005D+00  0.719962D-02 -0.433452D+01
      6  -0.215907D+01  0.111077D+01 -0.604350D+00 -0.909872D+00 -0.933005D+00
                16            17            18            19            20 
      1  -0.119360D+02 -0.257764D+01  0.888239D+01 -0.967413D+01  0.748257D+01
      2   0.602735D+01 -0.241384D+00  0.517435D+01  0.684501D+01 -0.125146D+02
      3   0.590870D+01  0.281903D+01 -0.140567D+02  0.282913D+01  0.503201D+01
      4  -0.129207D+01 -0.948936D+00 -0.159885D+01  0.152535D+01 -0.303525D+01
      5   0.589922D+00 -0.232301D+01  0.302255D+02  0.172169D+01  0.127991D+01
      6   0.133724D+00 -0.191402D+00  0.122575D+02  0.762783D+00  0.167156D+01
                21            22            23            24            25 
      1  -0.107291D+01  0.468726D+01  0.403784D+01 -0.321893D+01 -0.184232D+01
      2  -0.116932D+01 -0.100916D+02 -0.100505D+02  0.559652D+00  0.399058D+01
      3   0.224222D+01  0.540432D+01  0.601267D+01  0.265927D+01 -0.214826D+01
      4   0.903683D+00 -0.479880D+01 -0.103974D+02 -0.238621D+00  0.281090D+01
      5  -0.151444D+01  0.181062D+01  0.123516D+01 -0.741994D+00  0.101778D+01
      6  -0.147932D+01 -0.298885D+00  0.455551D+01 -0.320343D+01 -0.140946D+01
                26            27            28            29            30 
      1  -0.356928D+01  0.485832D+01 -0.101271D+02 -0.131935D+01 -0.347204D+01
      2   0.812755D+01  0.910184D+01  0.384268D+01  0.797505D+00  0.242170D+01
      3  -0.455826D+01 -0.139602D+02  0.628441D+01  0.521846D+00  0.105034D+01
      4   0.266077D+01 -0.145873D+00 -0.662746D+01 -0.990448D+00 -0.221019D+01
      5   0.799150D-01 -0.481178D+01 -0.543703D+01 -0.139300D+01 -0.585154D+01
      6   0.235612D+01 -0.236990D+02 -0.257187D+01 -0.725772D-01 -0.273580D+01
                31            32            33            34            35 
      1   0.143035D+01  0.152244D+02  0.100479D+00 -0.330504D+01  0.839608D-01
      2   0.156127D+00 -0.157241D+02 -0.186025D+01 -0.797600D+00 -0.253867D+01
      3  -0.158648D+01  0.499658D+00  0.175977D+01  0.410264D+01  0.245471D+01
      4  -0.484100D+01  0.328629D+00 -0.196773D+01  0.729191D+00 -0.838586D+00
      5   0.188655D+01 -0.155449D+01 -0.617442D+01 -0.160464D+01  0.793484D+00
      6   0.102754D+00  0.117713D+01 -0.556361D+01 -0.155499D+01  0.497935D+00
                36            37            38            39            40 
      1   0.591033D+01  0.166296D+02 -0.341937D+01 -0.959629D+00 -0.149110D+01
      2   0.636769D+01 -0.109837D+02  0.334385D+01 -0.153623D+01  0.902121D+00
      3  -0.122780D+02 -0.564594D+01  0.755259D-01  0.249586D+01  0.588980D+00
      4   0.138591D+01 -0.762109D+01  0.111321D+02 -0.140745D+01  0.119895D+02
      5   0.293031D+02  0.202550D+01 -0.233230D-01  0.145118D+02 -0.153472D+01
      6   0.406926D+01 -0.702740D+00  0.207750D+01  0.672938D+01 -0.450567D-01
                41            42            43            44            45 
      1  -0.114640D+02  0.306240D+01  0.518104D+01  0.323735D+01 -0.328365D+01
      2   0.163865D+02 -0.442773D+00 -0.530836D+01 -0.324229D+01 -0.332145D+01
      3  -0.492254D+01 -0.261963D+01  0.127319D+00  0.494221D-02  0.660510D+01
      4  -0.608349D+00  0.108255D+01 -0.399998D+01  0.146570D+01 -0.236412D+01
      5   0.453883D+00  0.593962D+01  0.541698D+01 -0.242584D+00  0.579968D+00
      6  -0.328477D+01  0.915002D+01 -0.522971D+00  0.467245D+01  0.200437D+01
                46            47            48            49            50 
      1  -0.168977D+02  0.915147D+01  0.455166D+01 -0.220670D+01  0.716064D+01
      2   0.153820D+02 -0.103691D+02 -0.104391D+01 -0.282192D+01 -0.191578D+02
      3   0.151577D+01  0.121763D+01 -0.350775D+01  0.502863D+01  0.119972D+02
      4   0.470041D+01 -0.582617D+01  0.369884D+00 -0.101296D+02 -0.101995D+02
      5  -0.148865D+00 -0.244852D+00 -0.109278D+02  0.153402D+01  0.589139D+00
      6  -0.175685D+00 -0.283527D+01 -0.600624D+01  0.796882D+00  0.163353D+01
                51            52            53            54            55 
      1  -0.395184D+00  0.194316D+01  0.161076D+00  0.626237D+01 -0.237748D+02
      2   0.478437D+00  0.653175D+00  0.722498D+01  0.851716D+01  0.173082D+02
      3  -0.832527D-01 -0.259633D+01 -0.738606D+01 -0.147795D+02  0.646653D+01
      4   0.138796D+01  0.287156D+01 -0.124581D+00  0.910551D+00  0.666829D+01
      5   0.106177D+01 -0.168323D+01 -0.127590D+01 -0.161549D+02 -0.693048D+01
      6  -0.146612D+01 -0.607013D+00  0.359870D-01 -0.324115D+02  0.699124D+01
                56            57            58            59            60 
      1  -0.210623D+00 -0.511564D+01 -0.594665D+01 -0.891238D+01 -0.370349D+01
      2  -0.489633D+01  0.369823D+01 -0.383606D+01  0.253798D+02  0.227770D+01
      3   0.510695D+01  0.141741D+01  0.978271D+01 -0.164674D+02  0.142578D+01
      4   0.160175D+02  0.499355D+01  0.254085D+02 -0.318126D+02 -0.500260D+01
      5   0.193669D+01  0.461785D+01  0.256554D+01 -0.512789D+01 -0.462323D+01
      6  -0.202869D+01 -0.872750D+00 -0.281751D+01  0.711576D+01  0.100638D+02
                61            62            63            64            65 
      1  -0.942640D+01 -0.240253D+01 -0.447543D+01 -0.494137D+00 -0.504793D+00
      2   0.322439D+01  0.693027D+01  0.136161D+01 -0.222465D+01 -0.547521D+00
      3   0.620201D+01 -0.452773D+01  0.311382D+01  0.271879D+01  0.105231D+01
      4   0.134877D+02 -0.117775D+02 -0.610067D+01 -0.571993D+00  0.341987D+01
      5   0.619165D+01 -0.704776D+01 -0.417214D+01  0.282243D+01 -0.728387D+00
      6  -0.389268D+01  0.104032D+02  0.427047D+01 -0.209982D+01 -0.442113D+00
                66            67            68            69            70 
      1   0.282493D+01 -0.241055D+00 -0.272331D+01  0.194051D+01  0.323584D+01
      2  -0.142657D+01 -0.773950D+00  0.654085D+00 -0.267806D+01 -0.228984D+01
      3  -0.139836D+01  0.101500D+01  0.206923D+01  0.737555D+00 -0.945995D+00
      4  -0.228592D+01  0.315267D+01 -0.112870D+01  0.258922D+01 -0.384427D+01
      5   0.637738D+01  0.151799D+00  0.232949D+01  0.390364D-01  0.456835D+01
      6   0.831800D+00  0.474874D+00 -0.316694D+01  0.702290D+01 -0.122791D+01
                71            72            73            74            75 
      1   0.298767D+01 -0.148901D+02  0.532125D+02 -0.282548D+00  0.426624D+01
      2  -0.258025D+01 -0.136282D+02 -0.336700D+02 -0.170781D+01 -0.552179D+01
      3  -0.407416D+00  0.285184D+02 -0.195425D+02  0.199036D+01  0.125555D+01
      4   0.425211D+01 -0.129078D+01  0.273931D+01  0.121571D+01  0.199919D+01
      5  -0.178980D+01  0.197988D+02  0.979139D+01  0.187346D+01  0.100141D+02
      6   0.503808D+01 -0.186047D+02  0.131512D+01  0.117115D+01 -0.249381D+00
                76            77            78            79            80 
      1  -0.148984D+02 -0.543509D+01 -0.146244D+01  0.162268D+02  0.241507D+01
      2   0.538549D+01 -0.146772D+01  0.188727D+01 -0.105002D+02  0.391405D+00
      3   0.951289D+01  0.690282D+01 -0.424837D+00 -0.572658D+01 -0.280648D+01
      4  -0.102530D+02 -0.277724D+02  0.415481D+01  0.575140D+01  0.771152D+01
      5  -0.181880D+00  0.518644D+01 -0.360658D+01  0.138278D+02  0.732679D+00
      6  -0.341254D+00  0.574548D+00  0.248724D+01  0.187606D+01  0.281373D+01
                81            82            83            84            85 
      1   0.512658D+01  0.217035D+01  0.126410D+01 -0.461470D+01  0.133545D+01
      2  -0.776314D+01 -0.382751D+01 -0.811680D+00  0.230570D+01 -0.746967D+00
      3   0.263656D+01  0.165716D+01 -0.452416D+00  0.230900D+01 -0.588481D+00
      4   0.678940D+00  0.102798D+01  0.641621D+00 -0.699681D+00  0.124539D+01
      5   0.497243D+01 -0.378828D+01 -0.231720D+00  0.567902D+01  0.940871D-01
      6   0.107313D+01 -0.706277D+00  0.400774D+00 -0.810750D+00 -0.895508D+00
                86            87            88            89            90 
      1  -0.440211D+01  0.168528D+01 -0.581117D+01  0.132212D+01 -0.154438D+02
      2   0.791665D+00 -0.119080D+01  0.458019D+01 -0.869512D+00 -0.144407D+02
      3   0.361044D+01 -0.494478D+00  0.123099D+01 -0.452608D+00  0.298845D+02
      4   0.205248D+00 -0.369896D+01 -0.222947D+01 -0.492501D+01  0.117326D+01
      5  -0.385382D+01  0.122152D+01  0.561332D+01  0.202015D+01 -0.281263D+02
      6  -0.183726D+01  0.857520D+01  0.382739D+00  0.498419D+01 -0.866728D+01
                91            92            93            94            95 
      1   0.165465D+01 -0.113164D+01  0.950438D+00 -0.180543D+01 -0.346688D+01
      2  -0.442908D+01  0.154369D+01 -0.159673D+00  0.205067D+01  0.120965D+01
      3   0.277442D+01 -0.412054D+00 -0.790764D+00 -0.245240D+00  0.225723D+01
      4  -0.391467D+00  0.168803D+01  0.231025D+01  0.186365D+01  0.107417D+01
      5   0.838622D+00  0.494278D+00  0.640609D+01 -0.816478D-01  0.633161D+00
      6   0.289580D+01 -0.208522D-01 -0.338088D+00  0.326715D+00  0.288992D+01
                96            97            98            99           100 
      1  -0.181753D+01  0.899362D+00 -0.431466D+01 -0.154677D+02  0.104481D+02
      2   0.360136D+01 -0.142209D+01  0.536382D+01 -0.152456D+02 -0.519736D+01
      3  -0.178383D+01  0.522726D+00 -0.104916D+01  0.307133D+02 -0.525077D+01
      4   0.916990D+00  0.343566D+01  0.140821D+01  0.193373D+00  0.180793D+02
      5  -0.288421D+00  0.431472D+01  0.125310D+00  0.518361D+01 -0.184080D+01
      6   0.619973D+01  0.105387D+01  0.483991D+01  0.223956D+02 -0.441061D+01
               101           102           103           104           105 
      1  -0.200319D+02  0.611942D+00 -0.115513D+02 -0.406430D+01  0.481687D+01
      2   0.346326D+02  0.120016D+01  0.219161D+02  0.108066D+02 -0.350646D+01
      3  -0.146007D+02 -0.181210D+01 -0.103648D+02 -0.674231D+01 -0.131040D+01
      4   0.119628D+02 -0.360846D+01  0.120769D+02  0.248813D+02 -0.948084D+00
      5  -0.661714D+00  0.621701D+01 -0.756691D+00 -0.279177D+01  0.202377D+01
      6  -0.135551D+01  0.545552D+01  0.129246D+00 -0.695552D+01  0.775023D+01
               106           107           108           109           110 
      1  -0.558904D+00  0.935997D+01 -0.430745D+01  0.457909D+01  0.272822D+01
      2  -0.451205D+00 -0.135530D+02  0.168153D+01 -0.533702D+01 -0.194349D+01
      3   0.101011D+01  0.419302D+01  0.262592D+01  0.757931D+00 -0.784730D+00
      4  -0.563299D+01 -0.433035D+01  0.459298D+01  0.720906D+01 -0.167640D+02
      5   0.456811D+01  0.277412D+01 -0.100904D+01  0.129654D+02  0.231201D+01
      6   0.561588D+01  0.103220D+02 -0.417578D+01  0.332794D+01  0.242109D+01
               111           112           113           114           115 
      1   0.517131D+01  0.120782D+02 -0.215199D+02  0.239960D+01  0.140491D+02
      2  -0.588833D+01 -0.959726D+01  0.572657D+01  0.362716D+01 -0.394161D+01
      3   0.717014D+00 -0.248093D+01  0.157934D+02 -0.602676D+01 -0.101075D+02
      4   0.361300D+01 -0.291501D+02 -0.166335D+02  0.685812D+01 -0.217103D+01
      5   0.150423D+01 -0.798328D+00  0.777562D+01  0.128361D+01 -0.437908D+01
      6   0.487126D+01  0.721461D+00  0.144496D+01 -0.368091D+01 -0.826757D+00
               116           117           118           119           120 
      1   0.118487D+01  0.870877D+01  0.371750D+01  0.942408D+00 -0.264271D+01
      2   0.174274D+01  0.110730D+02 -0.493325D+01 -0.852303D+00  0.159236D+01
      3  -0.292761D+01 -0.197818D+02  0.121574D+01 -0.901051D-01  0.105035D+01
      4   0.987808D+01 -0.105912D+02  0.580348D+00  0.143821D+01  0.417917D+00
      5  -0.875804D+01 -0.418239D+02 -0.318459D+01  0.316556D+00  0.841255D+01
      6  -0.651574D+00 -0.340110D+01 -0.214683D+00 -0.257866D-01 -0.456585D+00
               121           122           123           124           125 
      1   0.121549D+01 -0.463913D+01 -0.841542D+00 -0.497488D+01  0.953514D+00
      2  -0.999018D+00  0.148486D+01  0.168288D+00  0.627129D+01  0.353417D-01
      3  -0.216474D+00  0.315427D+01  0.673255D+00 -0.129641D+01 -0.988856D+00
      4   0.172203D+01  0.402875D+00 -0.221698D+01 -0.352505D+00 -0.293076D+01
      5  -0.775886D+00 -0.314765D+01  0.112513D+01  0.717398D+01  0.801266D+00
      6  -0.739908D+00 -0.374787D+00  0.737149D+01  0.853765D+00  0.413190D+01
               126           127           128           129           130 
      1  -0.147664D+02  0.580325D+01 -0.445299D+01  0.121852D+01 -0.111488D+01
      2  -0.148838D+02  0.251394D+01  0.978336D+01 -0.686274D+00  0.739588D+01
      3   0.296502D+02 -0.831719D+01 -0.533037D+01 -0.532246D+00 -0.628100D+01
      4   0.186600D+00  0.679788D+01  0.148319D+02 -0.286437D+00  0.168787D+02
      5  -0.231879D+02 -0.115899D+01 -0.943408D+00  0.577524D+01 -0.111539D+01
      6  -0.256438D+01 -0.736983D+00 -0.200586D+01  0.388140D+01 -0.168318D+00
               131           132           133           134           135 
      1  -0.312652D+02 -0.985785D+00 -0.181276D+00 -0.767396D+01  0.731177D+01
      2   0.584575D+02  0.159198D+01  0.781655D+00  0.665299D+01 -0.155356D+01
      3  -0.271923D+02 -0.606192D+00 -0.600379D+00  0.102097D+01 -0.575821D+01
      4   0.220721D+02  0.420786D-01  0.142013D+01  0.230345D+01  0.267977D+00
      5   0.106123D+00 -0.186919D+00  0.355888D+01 -0.999650D+00  0.900459D+01
      6  -0.333282D-01  0.495566D+01  0.172225D+01 -0.183514D+01  0.310739D+02
               136           137           138           139           140 
      1   0.471465D+00 -0.675471D+00  0.136692D+01 -0.127550D+01 -0.541558D+01
      2  -0.316757D+01  0.673825D+00 -0.252312D+00  0.151982D+01  0.399081D+01
      3   0.269610D+01  0.164622D-02 -0.111461D+01 -0.244315D+00  0.142477D+01
      4  -0.107354D+00  0.310597D+01  0.343951D+01  0.239957D+01  0.192422D+01
      5   0.177514D+01  0.115269D+01  0.758133D+01  0.136717D-01  0.113645D+01
      6   0.416461D+01  0.257137D+00  0.895932D+00  0.128047D+00  0.396972D+01
               141           142           143           144           145 
      1  -0.191831D+01  0.499516D+00 -0.707763D+01 -0.182584D+02  0.453031D+02
      2   0.365335D+01 -0.651128D+00  0.455051D+01 -0.113290D+02 -0.208365D+02
      3  -0.173504D+01  0.151612D+00  0.252712D+01  0.295873D+02 -0.244666D+02
      4   0.924326D+00  0.446112D+01  0.337335D+01  0.127948D+01 -0.343935D+02
      5  -0.209659D+00  0.499016D+01  0.232824D+01  0.115054D+02  0.175813D+01
      6   0.741018D+01  0.187649D+01  0.951323D+01  0.286436D+02 -0.337459D+01
               146           147           148           149           150 
      1  -0.481535D+01  0.402708D+01  0.238060D+01  0.184442D+01  0.618151D+00
      2  -0.256924D+01 -0.146360D+01 -0.365225D+01  0.101966D+01 -0.769086D+00
      3   0.738459D+01 -0.256348D+01  0.127164D+01 -0.286408D+01  0.150935D+00
      4   0.139007D+02 -0.196136D+01  0.453742D+01 -0.242301D+01  0.100959D+01
      5   0.135057D+00  0.634110D+01 -0.381615D-01  0.101768D+01 -0.521936D+00
      6  -0.350568D+00 -0.464261D+01 -0.755642D-01 -0.762109D+00  0.304743D+00
               151           152           153           154           155 
      1   0.755382D+01 -0.105861D+00  0.346919D+01  0.160687D+02  0.103968D+02
      2  -0.375099D+01 -0.127930D+01 -0.288385D+01 -0.501329D+01 -0.197442D+01
      3  -0.380283D+01  0.138516D+01 -0.585334D+00 -0.110554D+02 -0.842243D+01
      4  -0.628897D+01  0.280813D+01 -0.406301D+01  0.153198D+02  0.168701D+02
      5   0.731860D+01 -0.184178D+01  0.123053D+01 -0.620128D+00 -0.631939D-01
      6  -0.398647D+01  0.252847D+01 -0.410504D+00  0.111946D+00  0.716977D+00
               156           157           158           159           160 
      1  -0.111554D+01  0.218444D+02  0.105892D+02  0.416876D+00 -0.379984D+01
      2   0.297405D+00 -0.630718D+01  0.581642D+01 -0.148881D+01  0.171467D+01
      3   0.818137D+00 -0.155372D+02 -0.164056D+02  0.107193D+01  0.208517D+01
      4  -0.515779D+00  0.275052D+02  0.367127D+02 -0.110930D+01 -0.325135D+01
      5   0.359822D+01  0.799332D+00 -0.158023D+01  0.620833D+01  0.599543D+01
      6   0.144473D+01  0.133886D+01  0.118092D+01  0.287908D+01  0.246617D+01
               161           162           163           164           165 
      1  -0.125299D+01  0.184789D+01 -0.563022D+01  0.161060D+02 -0.227243D+00
      2  -0.533586D+00 -0.158743D+01  0.953909D+01 -0.256234D+02 -0.462149D+00
      3   0.178657D+01 -0.260465D+00 -0.390887D+01  0.951739D+01  0.689392D+00
      4  -0.418615D+01  0.458098D+01 -0.841170D+01  0.715601D+01  0.104113D+01
      5   0.433105D+01  0.144666D+00  0.429328D+00 -0.689698D+00 -0.637453D+00
      6   0.354385D+01 -0.471178D+00  0.131805D+01  0.916645D-01 -0.314475D+01
               166           167           168           169           170 
      1   0.770093D+01 -0.280323D+02 -0.498824D+00  0.740315D+00 -0.358120D+01
      2  -0.117197D+02  0.470097D+02  0.157264D+01 -0.124471D+01  0.534862D+01
      3   0.401882D+01 -0.189774D+02 -0.107382D+01  0.504393D+00 -0.176742D+01
      4   0.813613D+01 -0.578328D+01 -0.211604D+00  0.135471D+01 -0.497012D+00
      5  -0.490199D+00  0.881816D+00  0.344963D+00  0.128464D+01  0.521276D-01
      6  -0.464820D+00  0.851931D+00  0.601806D+01 -0.155181D+01  0.726472D+01
               171           172           173           174           175 
      1  -0.439180D+01  0.621003D+02 -0.910891D+01 -0.683385D+01 -0.934483D+01
      2   0.418629D+01 -0.325963D+02 -0.169237D+01  0.671630D+01  0.924736D+00
      3   0.205501D+00 -0.295041D+02  0.108013D+02  0.117550D+00  0.842009D+01
      4  -0.854727D+00 -0.243439D+02  0.286390D+02  0.840157D+00  0.295332D+02
      5  -0.499147D+00 -0.105971D+02  0.191645D+00  0.131065D+02  0.104380D+01
      6   0.875825D-01  0.946590D+00 -0.770064D+00 -0.456001D+01 -0.453557D+00
               176           177           178           179           180 
      1   0.262026D+02 -0.414684D+01 -0.155232D+02  0.929457D+00  0.740338D+01
      2  -0.164889D+02  0.673333D+00  0.871362D+01  0.159098D+01 -0.983574D+01
      3  -0.971374D+01  0.347351D+01  0.680958D+01 -0.252044D+01  0.243236D+01
      4   0.453074D+01 -0.455162D+01  0.686489D+01 -0.992851D+01 -0.472994D+01
      5  -0.600179D+01  0.495410D+00  0.179094D+02 -0.510268D+01 -0.577287D+01
      6   0.255058D+01  0.720683D+01 -0.381290D+01  0.463262D+01  0.343063D+01
               181           182           183           184           185 
      1  -0.970359D+00  0.158572D+01  0.777779D+01 -0.198497D+01  0.252276D+00
      2  -0.207993D+01 -0.550043D+00 -0.361864D+01  0.174458D+01 -0.142815D+01
      3   0.305029D+01 -0.103567D+01 -0.415915D+01  0.240388D+00  0.117588D+01
      4   0.150661D+01  0.324359D+01  0.164820D-01  0.557263D+01  0.294670D+01
      5   0.649792D+01  0.175855D-01  0.464987D+01  0.208312D-01  0.502556D+01
      6  -0.552858D-01 -0.600021D+00 -0.233182D+00  0.714323D+00  0.985591D+00
               186           187           188           189           190 
      1  -0.106547D+01  0.106607D+02 -0.433224D+01 -0.133286D+02  0.187801D+02
      2   0.448883D+00 -0.910827D+01 -0.113272D+00 -0.182049D+02 -0.672938D+01
      3   0.616582D+00 -0.155243D+01  0.444551D+01  0.315335D+02 -0.120508D+02
      4   0.508559D+01  0.226987D+00  0.782459D+01  0.884517D+01  0.164677D+02
      5  -0.893356D+00  0.130589D+02  0.708786D+01  0.480466D+02 -0.417123D+01
      6   0.597247D+01  0.965012D+00  0.542518D+01  0.452589D+01 -0.100914D+01
               191           192           193           194           195 
      1   0.118174D+02 -0.416426D+01  0.171223D+02  0.893201D+01 -0.561959D+00
      2  -0.363010D+01  0.123873D+01 -0.537692D+01  0.582597D+01 -0.135052D+01
      3  -0.818732D+01  0.292553D+01 -0.117454D+02 -0.147580D+02  0.191248D+01
      4   0.180961D+02 -0.198493D+01  0.226566D+02  0.357760D+02 -0.529342D+01
      5  -0.147206D+01  0.500416D+01 -0.139733D+01 -0.488798D+01  0.569511D+01
      6  -0.389797D+00  0.156166D+01 -0.348172D+00 -0.166096D+01  0.331496D+01
               196           197           198           199           200 
      1  -0.865564D+01 -0.163171D+01  0.197595D+01 -0.138150D+01  0.272380D+01
      2   0.393887D+01 -0.291721D+00 -0.249441D+01  0.917651D+00 -0.255624D+01
      3   0.471676D+01  0.192343D+01  0.518459D+00  0.463847D+00 -0.167562D+00
      4  -0.366175D+01 -0.950265D+01  0.694480D+01  0.720171D+00  0.336423D+01
      5   0.715083D+01  0.708107D+01 -0.153282D+01 -0.495518D+00 -0.106218D+01
      6   0.224502D+01  0.398312D+01 -0.186771D+01 -0.286047D+01  0.164373D+01
               201           202           203           204           205 
      1  -0.245793D+01  0.745917D+00 -0.569715D+01  0.286233D+01 -0.185341D+01
      2   0.130527D+01 -0.460552D+00  0.820325D+01 -0.537144D+01 -0.197454D-02
      3   0.115266D+01 -0.285365D+00 -0.250610D+01  0.250911D+01  0.185538D+01
      4  -0.309735D+01  0.247197D+01  0.135332D+01 -0.131150D+01 -0.647507D+01
      5   0.120425D+01 -0.415222D+00 -0.118320D+01  0.143201D+01  0.250869D+01
      6  -0.390748D+01 -0.364207D+00 -0.597935D+01  0.672415D+01  0.630090D+00
               206           207           208           209           210 
      1   0.133123D+02 -0.166423D+02 -0.860795D+01 -0.791275D+01  0.149580D+01
      2  -0.143060D+02  0.560089D+01  0.608516D+01  0.762664D+01 -0.800784D+00
      3   0.993650D+00  0.110414D+02  0.252279D+01  0.286113D+00 -0.695011D+00
      4  -0.553727D+01  0.309747D+01 -0.132505D+00 -0.833851D+01 -0.229066D+00
      5   0.447169D+01 -0.104294D+02  0.152483D+01  0.542046D+00 -0.183475D+01
      6   0.187443D+02 -0.366868D+02 -0.658075D+00 -0.305975D+00  0.177159D+00
               211           212           213           214           215 
      1  -0.159340D+02 -0.145690D+02  0.155457D+01  0.295725D+01  0.211728D+01
      2   0.889417D+01  0.228010D+02 -0.208729D+01 -0.180228D+01 -0.247037D+01
      3   0.703988D+01 -0.823204D+01  0.532718D+00 -0.115497D+01  0.353094D+00
      4   0.500292D+01 -0.349595D+02  0.117403D+01 -0.256346D+00  0.440548D+01
      5   0.155738D+01  0.223985D+01 -0.733913D+01  0.245051D+01 -0.405875D+01
      6   0.598660D-01 -0.121479D+01  0.338500D+01 -0.821884D-01  0.431489D+01
               216 
      1  -0.179845D+01
      2   0.761742D+00
      3   0.103671D+01
      4  -0.346487D+01
      5  -0.489887D+00
      6  -0.424413D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:15:27 2021, MaxMem=  5368709120 cpu:           15357.8 elap:            1924.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18719 -19.18345 -19.17749 -19.17267 -19.16546
 Alpha  occ. eigenvalues --  -19.15153 -10.30685 -10.25643 -10.25443 -10.25316
 Alpha  occ. eigenvalues --  -10.25275 -10.23540  -1.10875  -1.06727  -1.05709
 Alpha  occ. eigenvalues --   -1.04291  -1.03621  -1.02627  -0.80960  -0.79023
 Alpha  occ. eigenvalues --   -0.70517  -0.66995  -0.63864  -0.61651  -0.57630
 Alpha  occ. eigenvalues --   -0.56560  -0.53837  -0.52219  -0.51190  -0.50845
 Alpha  occ. eigenvalues --   -0.48725  -0.46651  -0.46173  -0.43678  -0.43038
 Alpha  occ. eigenvalues --   -0.41152  -0.40046  -0.39719  -0.38219  -0.37027
 Alpha  occ. eigenvalues --   -0.36459  -0.33931  -0.33527  -0.31728  -0.30495
 Alpha  occ. eigenvalues --   -0.29445  -0.28554  -0.28238
 Alpha virt. eigenvalues --   -0.02368  -0.01413  -0.00578  -0.00077   0.01569
 Alpha virt. eigenvalues --    0.01783   0.02085   0.02836   0.03153   0.04194
 Alpha virt. eigenvalues --    0.05380   0.05896   0.05975   0.06710   0.07312
 Alpha virt. eigenvalues --    0.07608   0.07905   0.08514   0.08833   0.09401
 Alpha virt. eigenvalues --    0.09473   0.09873   0.10242   0.11283   0.11472
 Alpha virt. eigenvalues --    0.11531   0.11869   0.12139   0.12330   0.12918
 Alpha virt. eigenvalues --    0.13085   0.13495   0.13523   0.14820   0.15448
 Alpha virt. eigenvalues --    0.15597   0.15727   0.16382   0.17036   0.17784
 Alpha virt. eigenvalues --    0.18354   0.18755   0.19178   0.19722   0.20692
 Alpha virt. eigenvalues --    0.20728   0.20931   0.21712   0.22367   0.22901
 Alpha virt. eigenvalues --    0.23411   0.23652   0.23786   0.24384   0.24994
 Alpha virt. eigenvalues --    0.25181   0.25640   0.26169   0.26408   0.26673
 Alpha virt. eigenvalues --    0.27061   0.27423   0.27916   0.28384   0.28678
 Alpha virt. eigenvalues --    0.29033   0.29421   0.30064   0.30256   0.30904
 Alpha virt. eigenvalues --    0.31187   0.31303   0.31959   0.33031   0.33637
 Alpha virt. eigenvalues --    0.34462   0.34676   0.34915   0.36076   0.36627
 Alpha virt. eigenvalues --    0.37176   0.37643   0.38310   0.38562   0.38628
 Alpha virt. eigenvalues --    0.39696   0.40308   0.40673   0.40916   0.41430
 Alpha virt. eigenvalues --    0.42720   0.43292   0.44114   0.44859   0.45294
 Alpha virt. eigenvalues --    0.45817   0.47656   0.48163   0.48803   0.49748
 Alpha virt. eigenvalues --    0.50177   0.50739   0.51306   0.51855   0.53231
 Alpha virt. eigenvalues --    0.53348   0.53965   0.54314   0.55414   0.56372
 Alpha virt. eigenvalues --    0.57665   0.58158   0.58546   0.59661   0.60021
 Alpha virt. eigenvalues --    0.60422   0.61297   0.61567   0.62364   0.63067
 Alpha virt. eigenvalues --    0.63719   0.64768   0.65226   0.65912   0.66454
 Alpha virt. eigenvalues --    0.67102   0.67386   0.68288   0.69193   0.70171
 Alpha virt. eigenvalues --    0.70845   0.71442   0.72017   0.72969   0.74023
 Alpha virt. eigenvalues --    0.75009   0.75597   0.76140   0.77135   0.77684
 Alpha virt. eigenvalues --    0.78308   0.79144   0.79903   0.80510   0.81278
 Alpha virt. eigenvalues --    0.81980   0.83247   0.84411   0.85264   0.86569
 Alpha virt. eigenvalues --    0.86908   0.87390   0.89144   0.89780   0.90906
 Alpha virt. eigenvalues --    0.92187   0.92642   0.93957   0.94430   0.94685
 Alpha virt. eigenvalues --    0.96738   0.99080   1.00381   1.02311   1.03263
 Alpha virt. eigenvalues --    1.03982   1.05117   1.06094   1.06758   1.07202
 Alpha virt. eigenvalues --    1.07863   1.09789   1.11055   1.11387   1.11925
 Alpha virt. eigenvalues --    1.13178   1.14019   1.15085   1.16428   1.17977
 Alpha virt. eigenvalues --    1.18257   1.19656   1.21976   1.22858   1.24397
 Alpha virt. eigenvalues --    1.24937   1.26145   1.27978   1.28675   1.29831
 Alpha virt. eigenvalues --    1.31378   1.33816   1.34720   1.36207   1.39629
 Alpha virt. eigenvalues --    1.40168   1.40848   1.42209   1.42533   1.43746
 Alpha virt. eigenvalues --    1.46143   1.46648   1.48360   1.49276   1.51259
 Alpha virt. eigenvalues --    1.52415   1.53594   1.55429   1.56649   1.57711
 Alpha virt. eigenvalues --    1.60257   1.60832   1.61896   1.62988   1.64635
 Alpha virt. eigenvalues --    1.65053   1.67010   1.67473   1.69704   1.71451
 Alpha virt. eigenvalues --    1.72889   1.73578   1.76406   1.78053   1.79613
 Alpha virt. eigenvalues --    1.79916   1.81505   1.81922   1.83171   1.83654
 Alpha virt. eigenvalues --    1.84753   1.86583   1.87567   1.90308   1.90747
 Alpha virt. eigenvalues --    1.91717   1.92161   1.92875   1.94586   1.95628
 Alpha virt. eigenvalues --    1.97264   1.99357   1.99566   2.01466   2.02270
 Alpha virt. eigenvalues --    2.03657   2.04385   2.06368   2.08245   2.08845
 Alpha virt. eigenvalues --    2.10620   2.11295   2.12306   2.14128   2.15715
 Alpha virt. eigenvalues --    2.16650   2.18744   2.20235   2.20793   2.22842
 Alpha virt. eigenvalues --    2.23704   2.25263   2.27719   2.28379   2.29687
 Alpha virt. eigenvalues --    2.31316   2.33320   2.35629   2.38038   2.39518
 Alpha virt. eigenvalues --    2.40751   2.42819   2.44229   2.45630   2.47892
 Alpha virt. eigenvalues --    2.48996   2.51884   2.53206   2.53950   2.57204
 Alpha virt. eigenvalues --    2.57858   2.58692   2.60793   2.63870   2.64889
 Alpha virt. eigenvalues --    2.67184   2.68306   2.71403   2.72632   2.76475
 Alpha virt. eigenvalues --    2.77246   2.78562   2.80721   2.84622   2.85677
 Alpha virt. eigenvalues --    2.98992   3.02627   3.06280   3.10653   3.15832
 Alpha virt. eigenvalues --    3.19672   3.26447   3.32282   3.38747   3.39547
 Alpha virt. eigenvalues --    3.41191   3.41904   3.43577   3.44043   3.45094
 Alpha virt. eigenvalues --    3.45485   3.47312   3.47619   3.48186   3.48884
 Alpha virt. eigenvalues --    3.49611   3.50927   3.52866   3.53121   3.54590
 Alpha virt. eigenvalues --    3.55931   3.57615   3.60718   3.64227   3.66631
 Alpha virt. eigenvalues --    3.72703   3.77006   3.84527   3.85671   3.93669
 Alpha virt. eigenvalues --    3.97715   4.00406   4.02331   4.06364   4.11192
 Alpha virt. eigenvalues --    4.28177
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.481619  -1.489721  -1.211319  -0.049655  -0.043781   0.186702
     2  C   -1.489721   9.052801  -1.032636   0.275815   0.269958  -1.363891
     3  C   -1.211319  -1.032636  10.715091  -3.230107   0.346560   0.556680
     4  C   -0.049655   0.275815  -3.230107  10.570762  -0.868288  -0.897348
     5  O   -0.043781   0.269958   0.346560  -0.868288   9.249002   0.022382
     6  C    0.186702  -1.363891   0.556680  -0.897348   0.022382   6.862288
     7  O   -0.693171   0.237113   0.125478   0.128012  -0.003618  -0.035740
     8  H   -1.117704   0.561683  -0.319088   0.131677   0.004620  -0.267385
     9  O    0.198774  -0.711948   0.124886  -0.028895  -0.018534   0.205811
    10  H   -0.394016  -0.841145   0.074067  -0.035476  -0.030363   0.354449
    11  H    0.099709   0.041088  -0.967473   0.121801  -0.008889  -0.087303
    12  O    0.212772   0.006929  -0.699378   0.178748  -0.002164   0.002672
    13  C   -0.402872   0.219100  -0.093791  -0.192048  -0.021248  -0.244518
    14  H   -0.092565   0.139088   0.434285  -1.449598  -0.007443   0.051751
    15  O   -0.018853   0.055058  -0.008521   0.006561  -0.068288   0.075728
    16  H   -0.000647  -0.209743   0.173316   0.103701  -0.054071  -0.607824
    17  H    0.162763  -0.117909   0.001095  -0.015187  -0.002229   0.018267
    18  H   -0.036160   0.156702  -0.021763   0.013029   0.001388  -0.107711
    19  H   -0.049621  -0.011478   0.111507  -0.044812   0.001725   0.004610
    20  O   -0.019723  -0.007535  -0.128120   0.348697  -0.080601  -0.008383
    21  H    0.016401  -0.000419  -0.255232   0.048928  -0.091999   0.002256
    22  H    0.075062   0.012246   0.203823  -0.145831   0.193181   0.033408
    23  H    0.036308  -0.086480   0.013477   0.019159  -0.005441  -0.122134
    24  H    0.001181  -0.002718   0.027645  -0.021840   0.054134  -0.006926
               7          8          9         10         11         12
     1  C   -0.693171  -1.117704   0.198774  -0.394016   0.099709   0.212772
     2  C    0.237113   0.561683  -0.711948  -0.841145   0.041088   0.006929
     3  C    0.125478  -0.319088   0.124886   0.074067  -0.967473  -0.699378
     4  C    0.128012   0.131677  -0.028895  -0.035476   0.121801   0.178748
     5  O   -0.003618   0.004620  -0.018534  -0.030363  -0.008889  -0.002164
     6  C   -0.035740  -0.267385   0.205811   0.354449  -0.087303   0.002672
     7  O    8.646722  -0.044681  -0.015586   0.043203  -0.013273  -0.020011
     8  H   -0.044681   2.399988  -0.046586   0.099700   0.097135   0.042688
     9  O   -0.015586  -0.046586   8.637539  -0.047967  -0.004163  -0.004388
    10  H    0.043203   0.099700  -0.047967   2.233113   0.044871   0.008522
    11  H   -0.013273   0.097135  -0.004163   0.044871   2.194188  -0.023934
    12  O   -0.020011   0.042688  -0.004388   0.008522  -0.023934   8.605471
    13  C    0.003328   0.086216  -0.004534   0.034395  -0.034973   0.035438
    14  H   -0.007659  -0.016921  -0.014788  -0.002730   0.099792  -0.011428
    15  O   -0.000188  -0.001165   0.006698  -0.027441   0.002975   0.000059
    16  H   -0.000686  -0.000166   0.029966   0.106805  -0.005748  -0.009985
    17  H    0.275051  -0.101761   0.017726  -0.019983   0.000848   0.003976
    18  H    0.005016   0.010533   0.272043  -0.065333  -0.001816   0.000205
    19  H    0.019091  -0.010389   0.000397   0.000204  -0.056418   0.294397
    20  O    0.000757  -0.003435   0.000229  -0.001066  -0.003711   0.007130
    21  H   -0.001428   0.000054  -0.000955   0.005332  -0.010798   0.019072
    22  H   -0.001717   0.013746  -0.000143   0.004027  -0.009713  -0.020270
    23  H   -0.001754  -0.001431   0.009158   0.009423  -0.001812  -0.000488
    24  H    0.000499   0.000945   0.000416   0.000947   0.000439  -0.000950
              13         14         15         16         17         18
     1  C   -0.402872  -0.092565  -0.018853  -0.000647   0.162763  -0.036160
     2  C    0.219100   0.139088   0.055058  -0.209743  -0.117909   0.156702
     3  C   -0.093791   0.434285  -0.008521   0.173316   0.001095  -0.021763
     4  C   -0.192048  -1.449598   0.006561   0.103701  -0.015187   0.013029
     5  O   -0.021248  -0.007443  -0.068288  -0.054071  -0.002229   0.001388
     6  C   -0.244518   0.051751   0.075728  -0.607824   0.018267  -0.107711
     7  O    0.003328  -0.007659  -0.000188  -0.000686   0.275051   0.005016
     8  H    0.086216  -0.016921  -0.001165  -0.000166  -0.101761   0.010533
     9  O   -0.004534  -0.014788   0.006698   0.029966   0.017726   0.272043
    10  H    0.034395  -0.002730  -0.027441   0.106805  -0.019983  -0.065333
    11  H   -0.034973   0.099792   0.002975  -0.005748   0.000848  -0.001816
    12  O    0.035438  -0.011428   0.000059  -0.009985   0.003976   0.000205
    13  C    5.599335  -0.122787  -0.008848   0.041630  -0.005349   0.001627
    14  H   -0.122787   2.778082  -0.009450  -0.039363  -0.000465   0.001842
    15  O   -0.008848  -0.009450   8.357012  -0.172357   0.000130   0.023193
    16  H    0.041630  -0.039363  -0.172357   2.148115  -0.001600  -0.021137
    17  H   -0.005349  -0.000465   0.000130  -0.001600   0.671235  -0.002568
    18  H    0.001627   0.001842   0.023193  -0.021137  -0.002568   0.666568
    19  H   -0.012026  -0.001067  -0.000160   0.001095  -0.002490  -0.000227
    20  O   -0.051081  -0.001391  -0.000915  -0.003240   0.000033  -0.000021
    21  H    0.177608   0.150446  -0.007766   0.006283  -0.000148   0.000178
    22  H   -0.282096  -0.180011   0.001758   0.002939  -0.000280   0.000080
    23  H   -0.001633  -0.000833   0.321016   0.041531   0.000175  -0.000112
    24  H   -0.058650  -0.010224   0.003755   0.000302  -0.000005  -0.000161
              19         20         21         22         23         24
     1  C   -0.049621  -0.019723   0.016401   0.075062   0.036308   0.001181
     2  C   -0.011478  -0.007535  -0.000419   0.012246  -0.086480  -0.002718
     3  C    0.111507  -0.128120  -0.255232   0.203823   0.013477   0.027645
     4  C   -0.044812   0.348697   0.048928  -0.145831   0.019159  -0.021840
     5  O    0.001725  -0.080601  -0.091999   0.193181  -0.005441   0.054134
     6  C    0.004610  -0.008383   0.002256   0.033408  -0.122134  -0.006926
     7  O    0.019091   0.000757  -0.001428  -0.001717  -0.001754   0.000499
     8  H   -0.010389  -0.003435   0.000054   0.013746  -0.001431   0.000945
     9  O    0.000397   0.000229  -0.000955  -0.000143   0.009158   0.000416
    10  H    0.000204  -0.001066   0.005332   0.004027   0.009423   0.000947
    11  H   -0.056418  -0.003711  -0.010798  -0.009713  -0.001812   0.000439
    12  O    0.294397   0.007130   0.019072  -0.020270  -0.000488  -0.000950
    13  C   -0.012026  -0.051081   0.177608  -0.282096  -0.001633  -0.058650
    14  H   -0.001067  -0.001391   0.150446  -0.180011  -0.000833  -0.010224
    15  O   -0.000160  -0.000915  -0.007766   0.001758   0.321016   0.003755
    16  H    0.001095  -0.003240   0.006283   0.002939   0.041531   0.000302
    17  H   -0.002490   0.000033  -0.000148  -0.000280   0.000175  -0.000005
    18  H   -0.000227  -0.000021   0.000178   0.000080  -0.000112  -0.000161
    19  H    0.647409  -0.000162  -0.000533  -0.000909   0.000215  -0.000072
    20  O   -0.000162   8.408673  -0.022062  -0.224679   0.000407   0.289768
    21  H   -0.000533  -0.022062   1.906426  -0.463970   0.001313  -0.077370
    22  H   -0.000909  -0.224679  -0.463970   2.162267  -0.000537   0.034838
    23  H    0.000215   0.000407   0.001313  -0.000537   0.705818  -0.000088
    24  H   -0.000072   0.289768  -0.077370   0.034838  -0.000088   0.650374
 Mulliken charges:
               1
     1  C    1.148517
     2  C    0.848042
     3  C    1.059518
     4  C    1.032195
     5  O   -0.835992
     6  C    1.372158
     7  O   -0.644760
     8  H   -0.518273
     9  O   -0.605157
    10  H   -0.553541
    11  H   -0.472820
    12  O   -0.625081
    13  C    1.337777
    14  H   -0.686565
    15  O   -0.529992
    16  H   -0.529117
    17  H    0.118673
    18  H    0.104605
    19  H    0.109714
    20  O   -0.499569
    21  H   -0.401617
    22  H   -0.407218
    23  H    0.064744
    24  H    0.113760
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.630244
     2  C    0.294501
     3  C    0.586698
     4  C    0.345630
     5  O   -0.835992
     6  C    0.843041
     7  O   -0.526087
     9  O   -0.500552
    12  O   -0.515368
    13  C    0.528943
    15  O   -0.465248
    20  O   -0.385809
 Electronic spatial extent (au):  <R**2>=           2204.9081
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.7731    Y=             -0.5581    Z=              1.4120  Tot=              3.1616
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.0008   YY=            -73.0692   ZZ=            -70.1384
   XY=              1.3442   XZ=              1.4180   YZ=             -3.5716
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2647   YY=              1.6669   ZZ=              4.5978
   XY=              1.3442   XZ=              1.4180   YZ=             -3.5716
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -61.4554  YYY=              3.4618  ZZZ=              2.7182  XYY=             -6.8223
  XXY=              0.6688  XXZ=             11.2697  XZZ=             -2.4334  YZZ=             -9.3899
  YYZ=              9.6023  XYZ=              7.0319
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1682.8259 YYYY=           -993.7574 ZZZZ=           -146.0696 XXXY=             36.9966
 XXXZ=             15.5699 YYYX=            -35.7858 YYYZ=            -35.6762 ZZZX=             -1.8255
 ZZZY=             -9.2714 XXYY=           -385.4667 XXZZ=           -290.7246 YYZZ=           -181.1427
 XXYZ=            -15.2946 YYXZ=              1.7374 ZZXY=              6.5810
 N-N= 8.260189978020D+02 E-N=-3.264279673325D+03  KE= 6.834355622962D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:15:27 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13012779D+00-2.43535518D-01 5.71690121D-01
 Polarizability= 1.02820655D+02 2.08616172D+00 9.78110719D+01
                 2.63270382D-01-3.38801094D-01 7.81635240D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1733   -0.1720        0.7374    0.7385
 2      0.1733    0.1720        0.1931    0.1931       -2.8934   -2.8957
 3     -0.7374   -0.7385       13.0333   13.0344       -0.1924   -0.1931
 4     -0.1931   -0.1931        0.0000    0.0000       -0.7385   -0.7385
 5    -10.1399  -10.1387        0.7385    0.7385       -0.1704   -0.1720
 6      0.1924    0.1931        0.1704    0.1720        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5160    0.5160        2.2155    2.2155
 2     -0.5793   -0.5793       -0.0000    0.0000        2.2155    2.2155
 3     -0.5793   -0.5793        0.5160    0.5160        0.0000    0.0000
 4      0.5160    0.5160        0.5793    0.5793       -8.6870   -8.6870
 5     -2.2155   -2.2155       39.1031   39.1031       -0.5793   -0.5793
 6    -30.4161  -30.4161        2.2155    2.2155       -0.5160   -0.5160
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0379    0.0000        0.7657    0.6880       -2.7841   -2.9540
 2     -0.7592   -0.6880       -0.6975   -0.7724       11.6089   11.5827
 3      2.9056    2.9540      -52.0847  -52.1374        0.7544    0.7724
 4      0.7453    0.7724        0.0197    0.0000        3.1351    2.9540
 5     40.6122   40.5547       -2.8633   -2.9540        0.6509    0.6880
 6     -0.8517   -0.7724       -0.7112   -0.6880        0.0544    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0662    0.0000        9.9263   10.0247        6.8075    6.8631
 2     -9.8528  -10.0247       -5.7951   -5.7946       -3.3359   -3.3586
 3     -6.9764   -6.8631       -6.9539   -7.1816        5.9535    5.7946
 4      5.7686    5.7946        0.0837    0.0000       -6.7820   -6.8631
 5     10.4102   10.5402        6.9501    6.8631       10.2191   10.0247
 6     -5.7926   -5.7946      -10.0035  -10.0247       -0.0701    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -22.6541  -22.5852        4.2468    4.1621      -10.2344  -10.2252
 2    -21.9292  -21.8828       15.9720   15.9008      -10.1388  -10.2252
 3    -21.9738  -21.8828        4.2739    4.1621      -13.9753  -14.0257
 4    -11.5633  -11.7386       -0.6776   -0.7024      -10.2421  -10.2638
 5     -3.9404   -3.8005      -13.3517  -13.5353        0.8043    0.7024
 6     23.6617   23.7992        3.9140    3.8005       11.9081   11.7386
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.5076   -4.8705    0.0005    0.0008    0.0010    0.5232
 Low frequencies ---   70.9509  103.5575  117.2838
 Diagonal vibrational polarizability:
       69.7503613      44.7150144      59.1676933
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.9504               103.5561               117.2834
 Red. masses --      6.9694                 4.8288                 5.6334
 Frc consts  --      0.0207                 0.0305                 0.0457
 IR Inten    --      0.1918                 4.6923                 0.8313
 RamAct Fr= 1--      0.0178                 0.0595                 0.0651
  Dep-P Fr= 1--      0.7500                 0.6793                 0.6452
  Dep-U Fr= 1--      0.8571                 0.8090                 0.7843
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0025                 0.0080                 0.0085
 AlphaG Fr= 1--     -0.0000                 0.0002                 0.0001
 Gamma2 Fr= 1--     -0.0390                -0.1108                -0.0070
 Delta2 Fr= 1--     -0.0063                -0.0245                -0.0069
 Raman1 Fr= 1--       0.071                  0.238                  0.261
 ROA1   Fr= 1--      -3.947                -11.423                 -0.895
 CID1   Fr= 1--     -55.310                -48.005                 -3.436
 Raman2 Fr= 1--       0.031                  0.096                  0.102
 ROA2   Fr= 1--      -0.886                 -2.463                 -0.113
 CID2   Fr= 1--     -28.974                -25.589                 -1.106
 Raman3 Fr= 1--       0.061                  0.193                  0.204
 ROA3   Fr= 1--      -3.947                -11.423                 -0.895
 CID3   Fr= 1--     -64.529                -59.336                 -4.381
 RC180  Fr= 1--       0.714                  0.618                  0.569
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.03    -0.02   0.03   0.06     0.01  -0.01  -0.07
     2   6     0.03  -0.01   0.08    -0.00  -0.02  -0.06     0.05   0.01   0.03
     3   6     0.01   0.03  -0.12     0.01   0.05  -0.03    -0.02   0.01   0.03
     4   6     0.03   0.01  -0.06    -0.01   0.05  -0.04     0.01   0.08  -0.08
     5   8     0.00  -0.00  -0.13     0.02   0.08   0.08     0.06   0.04  -0.14
     6   6    -0.01   0.05  -0.11     0.06   0.01   0.02     0.03   0.02  -0.04
     7   8     0.02  -0.01   0.11    -0.01  -0.05   0.25    -0.05   0.01  -0.23
     8   1    -0.15  -0.01   0.03    -0.11   0.15   0.07     0.09  -0.10  -0.08
     9   8    -0.05  -0.00   0.28     0.06  -0.03  -0.21    -0.00  -0.04   0.18
    10   1     0.21  -0.04   0.08    -0.12  -0.06  -0.06     0.16   0.05   0.03
    11   1     0.09   0.14  -0.12     0.08   0.08  -0.03    -0.07  -0.15   0.04
    12   8    -0.03  -0.02  -0.28    -0.04   0.04  -0.09    -0.04   0.11   0.25
    13   6    -0.03   0.01   0.11     0.03   0.04  -0.14     0.03   0.01  -0.10
    14   1     0.13   0.03  -0.06    -0.09  -0.03  -0.04    -0.03   0.15  -0.08
    15   8     0.01  -0.01  -0.26     0.09   0.01   0.04     0.10   0.01   0.01
    16   1    -0.06   0.18  -0.12     0.12  -0.02   0.02    -0.06   0.00  -0.03
    17   1    -0.01  -0.03   0.23    -0.01   0.03   0.20    -0.04  -0.10  -0.19
    18   1     0.03  -0.04   0.21     0.03  -0.02  -0.22     0.05  -0.04   0.22
    19   1     0.02   0.02  -0.22    -0.01   0.06   0.00    -0.12   0.03   0.22
    20   8     0.02  -0.04   0.31    -0.14  -0.21   0.10    -0.15  -0.22   0.10
    21   1    -0.18   0.09   0.11     0.10   0.35  -0.14     0.04   0.23  -0.10
    22   1     0.03  -0.02   0.11     0.13  -0.10  -0.43     0.17  -0.12  -0.29
    23   1     0.09  -0.14  -0.28    -0.03   0.06   0.06     0.21   0.03  -0.00
    24   1    -0.05  -0.01   0.26    -0.32  -0.08   0.25    -0.39  -0.09   0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    147.7520               189.1491               234.1075
 Red. masses --      5.8293                 2.5972                 2.9835
 Frc consts  --      0.0750                 0.0547                 0.0963
 IR Inten    --      1.4341                 0.4614                12.0813
 RamAct Fr= 1--      0.0834                 0.1400                 0.3549
  Dep-P Fr= 1--      0.5279                 0.6905                 0.7439
  Dep-U Fr= 1--      0.6910                 0.8169                 0.8531
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0096                 0.0191                 0.0505
 AlphaG Fr= 1--      0.0000                -0.0011                -0.0008
 Gamma2 Fr= 1--     -0.0113                -0.1664                 0.1423
 Delta2 Fr= 1--      0.0145                -0.1533                 0.1078
 Raman1 Fr= 1--       0.334                  0.560                  1.420
 ROA1   Fr= 1--      -0.624                -20.884                 17.110
 CID1   Fr= 1--      -1.871                -37.286                 12.052
 Raman2 Fr= 1--       0.115                  0.229                  0.606
 ROA2   Fr= 1--      -0.389                 -2.768                  2.552
 CID2   Fr= 1--      -3.371                -12.097                  4.214
 Raman3 Fr= 1--       0.231                  0.458                  1.211
 ROA3   Fr= 1--      -0.624                -20.884                 17.110
 CID3   Fr= 1--      -2.708                -45.641                 14.126
 RC180  Fr= 1--       0.382                  0.634                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.04     0.01   0.01   0.01     0.04  -0.01   0.00
     2   6     0.01  -0.01   0.08     0.02  -0.00  -0.02     0.04  -0.01  -0.02
     3   6    -0.00   0.08   0.07     0.00   0.06   0.01     0.02   0.02   0.02
     4   6     0.00   0.02   0.19     0.03   0.07   0.04    -0.02  -0.01   0.01
     5   8    -0.03   0.07   0.30     0.01   0.03  -0.10    -0.02  -0.00   0.03
     6   6     0.07   0.07   0.05     0.01  -0.00  -0.03    -0.00  -0.05  -0.02
     7   8    -0.06   0.02  -0.14    -0.05  -0.04   0.02    -0.16  -0.16  -0.03
     8   1     0.09  -0.11   0.03     0.02   0.03   0.01     0.07  -0.01  -0.00
     9   8     0.02  -0.04   0.07     0.02   0.02  -0.03    -0.01   0.23   0.01
    10   1     0.01  -0.02   0.08     0.02  -0.02  -0.02     0.05  -0.03  -0.02
    11   1    -0.02   0.22   0.07    -0.00   0.14   0.01     0.02   0.05   0.02
    12   8    -0.01   0.01  -0.10    -0.03   0.05  -0.08     0.10  -0.02  -0.01
    13   6     0.06  -0.05   0.02    -0.01  -0.13   0.18    -0.00   0.04  -0.05
    14   1    -0.06  -0.07   0.19     0.14   0.17   0.04    -0.06  -0.02   0.01
    15   8     0.05  -0.03  -0.27     0.09   0.01   0.10     0.03  -0.05  -0.00
    16   1     0.26   0.27   0.05    -0.06  -0.07  -0.03     0.03  -0.06  -0.02
    17   1    -0.03  -0.04  -0.20    -0.05  -0.13   0.05    -0.16  -0.58   0.23
    18   1     0.13  -0.10  -0.11    -0.06   0.07   0.08    -0.34   0.37   0.25
    19   1    -0.03   0.03  -0.22    -0.02   0.05  -0.07     0.20   0.06   0.02
    20   8    -0.11  -0.09  -0.18    -0.08  -0.06  -0.08     0.01   0.02   0.02
    21   1     0.23  -0.10   0.02    -0.11  -0.47   0.17     0.05   0.15  -0.05
    22   1     0.08  -0.07  -0.01     0.09  -0.07   0.50    -0.04   0.03  -0.15
    23   1    -0.14  -0.23  -0.25     0.24   0.08   0.08     0.05  -0.04  -0.01
    24   1    -0.16  -0.06  -0.13    -0.18  -0.06  -0.36     0.03   0.03   0.10
                      7                      8                      9
                      A                      A                      A
 Frequencies --    242.6956               274.4546               301.7581
 Red. masses --      3.5848                 2.8232                 3.3018
 Frc consts  --      0.1244                 0.1253                 0.1771
 IR Inten    --     12.1176                 8.7307                12.3648
 RamAct Fr= 1--      0.4528                 0.2754                 0.5131
  Dep-P Fr= 1--      0.4402                 0.7107                 0.4332
  Dep-U Fr= 1--      0.6113                 0.8309                 0.6045
 Alpha2 Fr= 1--      0.0029                 0.0002                 0.0034
 Beta2  Fr= 1--      0.0461                 0.0381                 0.0517
 AlphaG Fr= 1--      0.0002                 0.0011                 0.0026
 Gamma2 Fr= 1--     -0.0841                -0.0281                -0.0225
 Delta2 Fr= 1--     -0.0955                 0.0470                -0.0264
 Raman1 Fr= 1--       1.811                  1.102                  2.053
 ROA1   Fr= 1--     -11.127                 -1.193                 -3.009
 CID1   Fr= 1--      -6.144                 -1.083                 -1.466
 Raman2 Fr= 1--       0.554                  0.458                  0.620
 ROA2   Fr= 1--      -1.253                 -1.050                 -0.330
 CID2   Fr= 1--      -2.264                 -2.295                 -0.531
 Raman3 Fr= 1--       1.107                  0.915                  1.241
 ROA3   Fr= 1--     -11.127                 -1.193                 -3.009
 CID3   Fr= 1--     -10.051                 -1.304                 -2.425
 RC180  Fr= 1--       0.223                  0.662                  0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.09  -0.06    -0.04   0.03   0.01    -0.04   0.02  -0.17
     2   6     0.08   0.04  -0.07    -0.05  -0.01   0.02    -0.04   0.01  -0.14
     3   6    -0.02   0.04  -0.02    -0.03  -0.02   0.01    -0.01  -0.01  -0.14
     4   6    -0.03   0.01   0.02    -0.07  -0.01   0.01     0.03  -0.02  -0.03
     5   8     0.03  -0.02  -0.01    -0.02  -0.00  -0.00    -0.09   0.10   0.15
     6   6     0.04   0.03  -0.03    -0.01  -0.01   0.01     0.01   0.01  -0.04
     7   8    -0.14  -0.04   0.04     0.05   0.10  -0.00     0.05  -0.02   0.06
     8   1    -0.05   0.16  -0.06    -0.05   0.02   0.01    -0.14   0.13  -0.16
     9   8     0.07  -0.18   0.06    -0.04  -0.03  -0.03    -0.12  -0.05   0.06
    10   1     0.16   0.08  -0.06    -0.09  -0.00   0.01     0.07   0.10  -0.13
    11   1    -0.08   0.05  -0.02    -0.05  -0.01   0.01    -0.12  -0.11  -0.14
    12   8     0.22  -0.05   0.00     0.16  -0.11  -0.00     0.00   0.07   0.07
    13   6    -0.03   0.03   0.02    -0.09   0.05   0.01     0.03  -0.08   0.02
    14   1    -0.01   0.02   0.02    -0.07   0.01   0.01     0.09  -0.19  -0.03
    15   8    -0.12   0.09   0.02     0.16  -0.07  -0.01     0.07   0.01  -0.00
    16   1     0.07  -0.03  -0.03    -0.05   0.02   0.01     0.16  -0.04  -0.04
    17   1    -0.15  -0.22   0.17     0.05   0.26  -0.08    -0.03  -0.11   0.39
    18   1     0.39  -0.31  -0.12    -0.16   0.06   0.24    -0.16   0.02   0.37
    19   1     0.46   0.15   0.15     0.32   0.03   0.04     0.09   0.08   0.36
    20   8    -0.07   0.02  -0.02    -0.11   0.06   0.00     0.08  -0.03  -0.02
    21   1    -0.03   0.01   0.02    -0.09   0.07   0.01    -0.02  -0.17   0.02
    22   1    -0.03   0.02   0.03    -0.11   0.06  -0.01     0.05  -0.06   0.12
    23   1    -0.28   0.16   0.05     0.68  -0.21  -0.10     0.19   0.02  -0.02
    24   1    -0.11   0.03  -0.04    -0.15   0.07  -0.06     0.20  -0.07   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    323.2862               344.1330               376.8943
 Red. masses --      2.4291                 1.9138                 1.2630
 Frc consts  --      0.1496                 0.1335                 0.1057
 IR Inten    --     62.5230                14.5118                70.3080
 RamAct Fr= 1--      1.5253                 1.7011                 1.4493
  Dep-P Fr= 1--      0.4501                 0.0940                 0.5778
  Dep-U Fr= 1--      0.6208                 0.1718                 0.7324
 Alpha2 Fr= 1--      0.0093                 0.0302                 0.0047
 Beta2  Fr= 1--      0.1578                 0.0487                 0.1769
 AlphaG Fr= 1--      0.0002                -0.0172                 0.0052
 Gamma2 Fr= 1--      0.8323                 0.1364                 0.2856
 Delta2 Fr= 1--      0.5683                -0.0058                 0.3243
 Raman1 Fr= 1--       6.101                  6.804                  5.797
 ROA1   Fr= 1--      98.088                 12.911                 37.792
 CID1   Fr= 1--      16.077                  1.897                  6.519
 Raman2 Fr= 1--       1.894                  0.585                  2.123
 ROA2   Fr= 1--      15.429                  3.320                  4.259
 CID2   Fr= 1--       8.147                  5.679                  2.006
 Raman3 Fr= 1--       3.787                  1.169                  4.246
 ROA3   Fr= 1--      98.088                 12.911                 37.792
 CID3   Fr= 1--      25.899                 11.043                  8.900
 RC180  Fr= 1--       0.242                 -0.656                  0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03   0.07     0.03   0.00  -0.04     0.00  -0.02   0.02
     2   6    -0.06   0.04   0.07     0.08   0.02  -0.03    -0.02   0.00   0.06
     3   6    -0.00   0.01   0.04    -0.01  -0.01  -0.00     0.01  -0.02  -0.01
     4   6     0.03  -0.01   0.00    -0.01  -0.02   0.04    -0.00   0.00  -0.03
     5   8    -0.01  -0.00  -0.03     0.03  -0.06   0.04    -0.00   0.01  -0.01
     6   6    -0.04   0.09   0.03     0.03  -0.01  -0.02    -0.01   0.02   0.04
     7   8    -0.14   0.03  -0.03     0.07   0.01   0.00     0.05   0.05  -0.06
     8   1    -0.02  -0.01   0.06     0.03   0.03  -0.04    -0.01  -0.09   0.01
     9   8     0.01  -0.07  -0.07     0.09  -0.02  -0.02     0.01   0.00  -0.03
    10   1    -0.14   0.02   0.06     0.10   0.03  -0.03    -0.08  -0.01   0.06
    11   1     0.05   0.03   0.04    -0.06  -0.01  -0.00     0.03  -0.04  -0.01
    12   8     0.00  -0.02  -0.02    -0.07   0.01   0.01    -0.01  -0.01  -0.00
    13   6     0.09  -0.06  -0.04    -0.03   0.04   0.01    -0.02  -0.00   0.00
    14   1    -0.01   0.02   0.00    -0.00  -0.05   0.04     0.00  -0.01  -0.03
    15   8    -0.04   0.08  -0.00    -0.13   0.03  -0.01     0.02  -0.01  -0.01
    16   1    -0.12   0.17   0.02     0.07  -0.00  -0.02    -0.06   0.06   0.04
    17   1    -0.13  -0.14   0.04     0.00  -0.19   0.36    -0.10  -0.46   0.73
    18   1    -0.03  -0.02   0.18    -0.14   0.15   0.55     0.13  -0.10  -0.34
    19   1     0.04   0.02  -0.00    -0.23  -0.09  -0.22     0.07   0.03   0.15
    20   8     0.14  -0.06   0.01    -0.07   0.02  -0.01    -0.01   0.01   0.01
    21   1     0.11  -0.02  -0.04     0.02   0.08   0.01    -0.07  -0.03   0.00
    22   1     0.08  -0.07  -0.08    -0.05   0.04  -0.04    -0.01   0.01   0.05
    23   1     0.74  -0.18  -0.14     0.45  -0.16  -0.11    -0.06  -0.03   0.00
    24   1     0.26  -0.09   0.17    -0.16   0.05  -0.10    -0.05   0.01  -0.09
                     13                     14                     15
                      A                      A                      A
 Frequencies --    391.9660               394.1525               411.3216
 Red. masses --      1.5840                 1.7859                 1.4693
 Frc consts  --      0.1434                 0.1635                 0.1465
 IR Inten    --     87.6481                13.2908               167.6052
 RamAct Fr= 1--      2.3685                 1.2322                 2.2250
  Dep-P Fr= 1--      0.6946                 0.7374                 0.4995
  Dep-U Fr= 1--      0.8198                 0.8489                 0.6663
 Alpha2 Fr= 1--      0.0023                 0.0003                 0.0110
 Beta2  Fr= 1--      0.3236                 0.1743                 0.2471
 AlphaG Fr= 1--      0.0011                 0.0019                -0.0118
 Gamma2 Fr= 1--     -0.6317                 0.4974                -1.5128
 Delta2 Fr= 1--     -0.4078                 0.1076                -1.0696
 Raman1 Fr= 1--       9.474                  4.929                  8.900
 ROA1   Fr= 1--     -73.687                 51.193               -179.457
 CID1   Fr= 1--      -7.778                 10.386                -20.164
 Raman2 Fr= 1--       3.883                  2.092                  2.965
 ROA2   Fr= 1--     -11.897                 11.076                -27.750
 CID2   Fr= 1--      -3.064                  5.294                 -9.360
 Raman3 Fr= 1--       7.767                  4.184                  5.930
 ROA3   Fr= 1--     -73.687                 51.193               -179.457
 CID3   Fr= 1--      -9.488                 12.235                -30.264
 RC180  Fr= 1--       0.640                  0.698                  0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.01     0.03  -0.01   0.01     0.04  -0.02  -0.02
     2   6    -0.04  -0.01  -0.01     0.04  -0.00   0.08     0.02  -0.01  -0.05
     3   6    -0.02  -0.04   0.04     0.03   0.04  -0.06    -0.00  -0.00   0.04
     4   6     0.05   0.02   0.06    -0.02  -0.01  -0.08     0.00   0.01   0.07
     5   8     0.05  -0.00  -0.02    -0.02   0.00   0.03    -0.02  -0.01  -0.01
     6   6     0.01   0.02  -0.01    -0.02  -0.02   0.07    -0.00  -0.01  -0.05
     7   8     0.02   0.02  -0.02    -0.01  -0.03  -0.01     0.05  -0.04  -0.01
     8   1     0.02  -0.02   0.01    -0.01  -0.06   0.01     0.09   0.02  -0.02
     9   8    -0.04  -0.02  -0.02     0.09  -0.00  -0.03    -0.03   0.04   0.04
    10   1    -0.05  -0.02  -0.01    -0.02   0.03   0.08     0.07  -0.04  -0.05
    11   1    -0.04   0.00   0.04     0.11  -0.00  -0.06    -0.03   0.05   0.04
    12   8    -0.05  -0.09  -0.05    -0.02   0.09  -0.02    -0.06  -0.02  -0.05
    13   6     0.08   0.05   0.01    -0.06  -0.02  -0.01     0.02   0.03   0.01
    14   1     0.07   0.07   0.06    -0.03  -0.09  -0.08     0.02   0.04   0.07
    15   8    -0.00   0.05  -0.01    -0.06  -0.05  -0.03    -0.04   0.02   0.03
    16   1     0.02   0.03  -0.01    -0.06   0.04   0.07     0.02  -0.06  -0.05
    17   1     0.00   0.01   0.04     0.05   0.12  -0.30     0.05   0.02  -0.05
    18   1    -0.25   0.12   0.40     0.00   0.05   0.10     0.21  -0.12  -0.45
    19   1     0.27   0.07   0.56     0.27   0.19   0.71     0.17   0.08   0.45
    20   8     0.01  -0.01   0.00     0.00   0.01   0.02    -0.05   0.01  -0.03
    21   1     0.16   0.11   0.02    -0.17  -0.09  -0.01     0.12   0.08   0.02
    22   1     0.08   0.02  -0.07    -0.04   0.00   0.09    -0.01   0.01  -0.07
    23   1    -0.32   0.15   0.05     0.10  -0.21  -0.06     0.48  -0.06  -0.05
    24   1    -0.22   0.05  -0.28    -0.09   0.01  -0.23     0.15  -0.01   0.37
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.1040               424.2858               447.6371
 Red. masses --      1.4122                 4.0325                 3.9807
 Frc consts  --      0.1427                 0.4277                 0.4700
 IR Inten    --    142.1686                22.1317                 6.8372
 RamAct Fr= 1--      1.1403                 4.3795                 7.3756
  Dep-P Fr= 1--      0.6656                 0.4278                 0.1473
  Dep-U Fr= 1--      0.7992                 0.5992                 0.2567
 Alpha2 Fr= 1--      0.0017                 0.0293                 0.1148
 Beta2  Fr= 1--      0.1519                 0.4374                 0.3156
 AlphaG Fr= 1--      0.0010                 0.0107                 0.0125
 Gamma2 Fr= 1--     -0.2589                 0.4370                 0.5351
 Delta2 Fr= 1--     -0.2795                 0.0328                 0.7922
 Raman1 Fr= 1--       4.561                 17.518                 29.503
 ROA1   Fr= 1--     -33.797                 43.000                 76.721
 CID1   Fr= 1--      -7.410                  2.455                  2.600
 Raman2 Fr= 1--       1.823                  5.248                  3.787
 ROA2   Fr= 1--      -3.977                 10.226                  6.506
 CID2   Fr= 1--      -2.182                  1.948                  1.718
 Raman3 Fr= 1--       3.645                 10.497                  7.575
 ROA3   Fr= 1--     -33.797                 43.000                 76.721
 CID3   Fr= 1--      -9.271                  4.097                 10.129
 RC180  Fr= 1--       0.598                  0.198                 -0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.02    -0.10   0.06  -0.07    -0.04   0.14   0.00
     2   6     0.03   0.01   0.01     0.06   0.10   0.01     0.04   0.00  -0.11
     3   6    -0.03   0.01   0.01    -0.11  -0.14  -0.10    -0.05   0.11   0.06
     4   6    -0.03  -0.02   0.00    -0.00  -0.11  -0.05    -0.05  -0.03   0.10
     5   8     0.03  -0.04  -0.02     0.12  -0.09   0.07     0.01  -0.13   0.00
     6   6     0.03  -0.02   0.00     0.12   0.07   0.04     0.02  -0.16  -0.06
     7   8    -0.02   0.07  -0.01    -0.11   0.03   0.04    -0.07   0.20   0.00
     8   1    -0.02   0.03   0.02    -0.21   0.08  -0.06     0.01   0.24   0.01
     9   8     0.06  -0.01  -0.02     0.07   0.16   0.04    -0.02   0.01   0.04
    10   1     0.03   0.00   0.01     0.09   0.16   0.01     0.13  -0.04  -0.10
    11   1    -0.01   0.02   0.01    -0.14  -0.25  -0.09    -0.08   0.21   0.06
    12   8    -0.03   0.00  -0.01    -0.11  -0.13   0.03    -0.04   0.09  -0.04
    13   6    -0.04  -0.04   0.01    -0.04  -0.04   0.01     0.04  -0.03  -0.05
    14   1    -0.02   0.00   0.00     0.02  -0.23  -0.05    -0.14   0.01   0.10
    15   8     0.04  -0.02  -0.01     0.09   0.09  -0.01     0.01  -0.17   0.03
    16   1     0.02  -0.02   0.00     0.16   0.12   0.04     0.08  -0.28  -0.06
    17   1    -0.04   0.00   0.10    -0.07   0.16  -0.16    -0.11   0.05   0.23
    18   1    -0.11   0.10   0.30     0.20   0.04  -0.41     0.11  -0.06  -0.16
    19   1     0.07   0.05   0.19    -0.07  -0.13   0.16     0.04   0.14   0.11
    20   8    -0.03  -0.00  -0.05     0.01  -0.01   0.01     0.12  -0.04   0.04
    21   1    -0.05  -0.09   0.01    -0.12  -0.10   0.00     0.16   0.10  -0.04
    22   1    -0.03  -0.03   0.07    -0.04  -0.01   0.08    -0.03  -0.04  -0.20
    23   1    -0.31   0.07   0.04     0.20   0.02  -0.03     0.03  -0.13   0.03
    24   1     0.42  -0.08   0.71    -0.13  -0.01  -0.30    -0.15  -0.01  -0.51
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.2955               574.3006               601.5330
 Red. masses --      3.6520                 3.4770                 5.0703
 Frc consts  --      0.5215                 0.6757                 1.0809
 IR Inten    --      2.5234                31.5423                 5.9013
 RamAct Fr= 1--      6.1478                 2.0697                 0.1223
  Dep-P Fr= 1--      0.1018                 0.1477                 0.7495
  Dep-U Fr= 1--      0.1848                 0.2574                 0.8568
 Alpha2 Fr= 1--      0.1072                 0.0322                 0.0000
 Beta2  Fr= 1--      0.1893                 0.0888                 0.0175
 AlphaG Fr= 1--     -0.0295                 0.0113                 0.0000
 Gamma2 Fr= 1--     -0.5979                -0.2130                 0.0665
 Delta2 Fr= 1--     -0.2491                -0.0723                 0.0541
 Raman1 Fr= 1--      24.591                  8.279                  0.489
 ROA1   Fr= 1--     -65.367                -22.757                  8.112
 CID1   Fr= 1--      -2.658                 -2.749                 16.582
 Raman2 Fr= 1--       2.272                  1.066                  0.210
 ROA2   Fr= 1--     -12.355                 -4.533                  1.163
 CID2   Fr= 1--      -5.439                 -4.253                  5.548
 Raman3 Fr= 1--       4.543                  2.131                  0.419
 ROA3   Fr= 1--     -65.367                -22.757                  8.112
 CID3   Fr= 1--     -14.387                -10.677                 19.353
 RC180  Fr= 1--      -0.630                 -0.485                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.11    -0.04  -0.03   0.17    -0.13  -0.07  -0.04
     2   6    -0.07   0.01   0.08    -0.02  -0.14  -0.05     0.10  -0.11   0.05
     3   6    -0.05   0.02  -0.15     0.07  -0.03  -0.03    -0.20  -0.00  -0.01
     4   6     0.12   0.05   0.05     0.08   0.03  -0.15    -0.05   0.20  -0.02
     5   8     0.13  -0.08  -0.06     0.11   0.05   0.08    -0.09   0.23  -0.01
     6   6    -0.02  -0.04   0.14     0.15  -0.07  -0.08     0.01  -0.07  -0.04
     7   8    -0.02  -0.01   0.04    -0.07   0.12  -0.04     0.04   0.05   0.00
     8   1    -0.30  -0.07  -0.10    -0.04  -0.06   0.16    -0.30  -0.18  -0.04
     9   8    -0.06   0.04  -0.03    -0.11   0.02   0.01     0.19   0.07   0.01
    10   1    -0.18   0.17   0.08     0.01  -0.45  -0.06     0.20  -0.20   0.05
    11   1    -0.21   0.01  -0.14     0.31  -0.13  -0.03    -0.38  -0.03  -0.01
    12   8     0.07   0.08   0.04     0.03   0.01   0.01     0.01  -0.17   0.03
    13   6     0.15   0.09   0.10     0.00   0.02   0.01     0.07  -0.01  -0.01
    14   1     0.31   0.02   0.05     0.08  -0.09  -0.14    -0.08   0.30  -0.02
    15   8    -0.08  -0.12  -0.03    -0.12   0.02   0.03    -0.11  -0.08   0.02
    16   1    -0.12   0.02   0.14     0.35  -0.16  -0.07     0.01  -0.15  -0.03
    17   1    -0.04   0.11   0.04    -0.06   0.02  -0.04    -0.02   0.22   0.10
    18   1    -0.07   0.01  -0.17    -0.17   0.02  -0.10    -0.00   0.11  -0.08
    19   1    -0.01   0.04  -0.11    -0.00  -0.02   0.01     0.17   0.02  -0.11
    20   8    -0.07  -0.01  -0.06    -0.05   0.01  -0.00     0.10  -0.05   0.00
    21   1     0.27   0.10   0.10    -0.22  -0.16   0.01     0.01  -0.11  -0.02
    22   1     0.19   0.04   0.02     0.13   0.04   0.25     0.21  -0.04   0.10
    23   1     0.01  -0.36  -0.05     0.20  -0.03  -0.03     0.03  -0.13  -0.00
    24   1    -0.02   0.04   0.29    -0.04   0.03   0.10     0.07  -0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    633.9880               640.3201               887.4094
 Red. masses --      2.9748                 4.0606                 2.1011
 Frc consts  --      0.7045                 0.9809                 0.9749
 IR Inten    --     13.3044                15.1450                50.9626
 RamAct Fr= 1--      0.3884                 0.1662                 2.6416
  Dep-P Fr= 1--      0.5946                 0.6935                 0.4516
  Dep-U Fr= 1--      0.7458                 0.8190                 0.6222
 Alpha2 Fr= 1--      0.0011                 0.0002                 0.0161
 Beta2  Fr= 1--      0.0483                 0.0227                 0.2739
 AlphaG Fr= 1--     -0.0017                 0.0003                -0.0400
 Gamma2 Fr= 1--     -0.0738                 0.0874                -0.5371
 Delta2 Fr= 1--     -0.0042                -0.0337                -0.2105
 Raman1 Fr= 1--       1.554                  0.665                 10.566
 ROA1   Fr= 1--      -7.214                  7.312                -58.295
 CID1   Fr= 1--      -4.643                 10.997                 -5.517
 Raman2 Fr= 1--       0.579                  0.272                  3.287
 ROA2   Fr= 1--      -1.737                  2.367                -11.206
 CID2   Fr= 1--      -2.998                  8.692                 -3.409
 Raman3 Fr= 1--       1.159                  0.545                  6.575
 ROA3   Fr= 1--      -7.214                  7.312                -58.295
 CID3   Fr= 1--      -6.226                 13.426                 -8.867
 RC180  Fr= 1--       0.492                  0.638                  0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.09  -0.06    -0.05  -0.09  -0.04     0.01  -0.01  -0.01
     2   6    -0.02   0.12  -0.09    -0.04  -0.06   0.02     0.01  -0.02  -0.01
     3   6     0.03  -0.02   0.13    -0.13   0.12   0.06     0.05  -0.02  -0.04
     4   6    -0.00   0.10  -0.09    -0.14   0.06   0.04     0.01  -0.05   0.08
     5   8     0.09   0.08  -0.00     0.18  -0.08  -0.00     0.03   0.14  -0.08
     6   6     0.03  -0.01   0.14     0.14   0.03   0.06     0.10   0.01   0.06
     7   8    -0.01  -0.03   0.02     0.12  -0.09  -0.01    -0.02   0.02   0.01
     8   1     0.33   0.30  -0.05    -0.07  -0.19  -0.05    -0.04   0.00  -0.00
     9   8    -0.08  -0.02   0.01    -0.11   0.02  -0.01    -0.02   0.00   0.00
    10   1    -0.07   0.39  -0.08    -0.11  -0.07   0.02    -0.01  -0.02  -0.02
    11   1     0.08  -0.06   0.13    -0.30   0.28   0.05     0.03  -0.02  -0.03
    12   8    -0.06  -0.12  -0.02     0.06   0.08  -0.01    -0.00  -0.00   0.01
    13   6    -0.02  -0.01  -0.04    -0.12  -0.09  -0.10    -0.12  -0.11   0.04
    14   1    -0.15   0.20  -0.09    -0.40   0.17   0.04     0.28   0.06   0.08
    15   8    -0.05  -0.11  -0.02    -0.02   0.11  -0.02    -0.03  -0.01   0.00
    16   1     0.04  -0.05   0.14     0.20   0.10   0.05     0.11  -0.04   0.06
    17   1     0.02  -0.10  -0.04     0.07   0.11   0.08    -0.01  -0.01  -0.01
    18   1     0.10  -0.06   0.08    -0.18   0.03  -0.07    -0.05   0.01  -0.01
    19   1    -0.01  -0.07  -0.03     0.17   0.20  -0.06    -0.07  -0.07   0.05
    20   8     0.01  -0.01   0.01     0.08  -0.03   0.03    -0.01   0.02  -0.00
    21   1    -0.24  -0.19  -0.04    -0.24  -0.17  -0.10     0.27   0.34   0.06
    22   1     0.12   0.00   0.21    -0.08  -0.07   0.04    -0.40  -0.16  -0.50
    23   1    -0.03  -0.40  -0.04     0.06  -0.01  -0.04    -0.04  -0.22  -0.01
    24   1     0.03  -0.01   0.06     0.16  -0.10  -0.07     0.22  -0.14  -0.20
                     25                     26                     27
                      A                      A                      A
 Frequencies --    996.6430              1014.6264              1022.1587
 Red. masses --      3.9070                 3.5547                 4.0888
 Frc consts  --      2.2865                 2.1561                 2.5170
 IR Inten    --     76.0596                23.8244                18.8584
 RamAct Fr= 1--      0.4717                 0.6149                 1.2985
  Dep-P Fr= 1--      0.2705                 0.7203                 0.7293
  Dep-U Fr= 1--      0.4258                 0.8374                 0.8435
 Alpha2 Fr= 1--      0.0053                 0.0003                 0.0005
 Beta2  Fr= 1--      0.0335                 0.0858                 0.1825
 AlphaG Fr= 1--      0.0065                 0.0054                -0.0008
 Gamma2 Fr= 1--      0.0308                 0.1337                 0.5998
 Delta2 Fr= 1--      0.0401                 0.1484                 0.3126
 Raman1 Fr= 1--       1.887                  2.459                  5.194
 ROA1   Fr= 1--       4.240                 17.589                 67.585
 CID1   Fr= 1--       2.247                  7.152                 13.012
 Raman2 Fr= 1--       0.402                  1.030                  2.191
 ROA2   Fr= 1--       0.418                  2.022                 11.895
 CID2   Fr= 1--       1.040                  1.964                  5.430
 Raman3 Fr= 1--       0.803                  2.060                  4.381
 ROA3   Fr= 1--       4.240                 17.589                 67.585
 CID3   Fr= 1--       5.276                  8.540                 15.426
 RC180  Fr= 1--      -0.148                  0.675                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.12   0.23     0.13   0.07   0.04     0.22   0.08  -0.11
     2   6     0.02   0.19   0.05     0.10  -0.18  -0.08     0.09  -0.07   0.21
     3   6    -0.17   0.06  -0.14    -0.10   0.03  -0.07     0.06   0.07  -0.14
     4   6    -0.08  -0.00  -0.05    -0.12  -0.05  -0.04     0.00   0.08   0.10
     5   8     0.01   0.01   0.01    -0.08  -0.01  -0.06     0.10   0.01   0.05
     6   6     0.08   0.01  -0.10     0.01  -0.02   0.20    -0.09  -0.07  -0.11
     7   8     0.10  -0.10  -0.06     0.00   0.04   0.01    -0.06   0.08   0.07
     8   1     0.01  -0.06   0.20     0.25   0.26   0.04    -0.04   0.03  -0.10
     9   8    -0.09  -0.01  -0.04    -0.04  -0.02   0.01    -0.10  -0.04  -0.06
    10   1    -0.10  -0.04   0.04     0.07  -0.24  -0.08     0.05  -0.09   0.19
    11   1    -0.02  -0.06  -0.13    -0.07  -0.05  -0.07    -0.29   0.07  -0.12
    12   8    -0.03  -0.05   0.04    -0.02  -0.01   0.01    -0.05  -0.11   0.05
    13   6    -0.01   0.04   0.10     0.05   0.10   0.09    -0.06  -0.02  -0.06
    14   1     0.18  -0.17  -0.04    -0.04  -0.14  -0.04    -0.04   0.11   0.09
    15   8    -0.02  -0.09   0.02     0.03   0.14  -0.03    -0.01   0.00  -0.00
    16   1     0.15  -0.05  -0.10    -0.06  -0.04   0.19    -0.17   0.13  -0.11
    17   1     0.17  -0.30  -0.19     0.10  -0.25  -0.17     0.10  -0.38  -0.24
    18   1     0.38  -0.10   0.23    -0.30   0.03  -0.14    -0.25  -0.02  -0.14
    19   1     0.18   0.19  -0.14     0.07   0.09  -0.05    -0.07  -0.13   0.07
    20   8     0.04  -0.05  -0.03     0.05  -0.06  -0.04     0.01  -0.01   0.01
    21   1     0.18   0.18   0.10     0.13   0.04   0.09    -0.11  -0.08  -0.06
    22   1    -0.01  -0.04  -0.13     0.06   0.09   0.08    -0.02  -0.01   0.02
    23   1     0.01   0.13   0.03    -0.10  -0.45  -0.05     0.10   0.38   0.00
    24   1     0.05  -0.06  -0.06    -0.12   0.05   0.06     0.05  -0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1053.3295              1069.4374              1085.5385
 Red. masses --      2.7780                 3.6072                 3.8266
 Frc consts  --      1.8160                 2.4307                 2.6567
 IR Inten    --     87.9063               216.1320                 2.9076
 RamAct Fr= 1--      1.6823                 4.3718                 0.2716
  Dep-P Fr= 1--      0.4980                 0.2633                 0.4414
  Dep-U Fr= 1--      0.6649                 0.4169                 0.6125
 Alpha2 Fr= 1--      0.0084                 0.0499                 0.0017
 Beta2  Fr= 1--      0.1864                 0.3037                 0.0277
 AlphaG Fr= 1--     -0.0199                 0.0100                 0.0008
 Gamma2 Fr= 1--      0.0123                 0.3621                 0.5067
 Delta2 Fr= 1--      0.1383                 0.1994                 0.6301
 Raman1 Fr= 1--       6.729                 17.487                  1.086
 ROA1   Fr= 1--       5.609                 41.146                 68.806
 CID1   Fr= 1--       0.834                  2.353                 63.339
 Raman2 Fr= 1--       2.237                  3.645                  0.333
 ROA2   Fr= 1--      -0.810                  7.096                  7.119
 CID2   Fr= 1--      -0.362                  1.947                 21.401
 Raman3 Fr= 1--       4.474                  7.290                  0.665
 ROA3   Fr= 1--       5.609                 41.146                 68.806
 CID3   Fr= 1--       1.254                  5.644                103.416
 RC180  Fr= 1--       0.330                 -0.166                  0.225
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.01   0.05  -0.04     0.02  -0.12   0.08
     2   6    -0.03   0.06   0.00    -0.10  -0.07  -0.01    -0.04   0.03  -0.15
     3   6     0.08  -0.12  -0.07    -0.08  -0.01   0.10     0.06  -0.03  -0.12
     4   6    -0.14  -0.05   0.15     0.06  -0.09  -0.07    -0.02   0.29   0.01
     5   8     0.02   0.08  -0.06     0.16   0.07   0.06     0.02  -0.14   0.08
     6   6     0.04  -0.01  -0.03    -0.17  -0.02  -0.06    -0.11  -0.04   0.05
     7   8    -0.02   0.01   0.00     0.02  -0.02  -0.01    -0.03   0.04   0.01
     8   1    -0.13  -0.11   0.02     0.29   0.23  -0.03    -0.07  -0.09   0.08
     9   8    -0.00   0.01  -0.00     0.09  -0.00   0.04     0.05   0.02   0.03
    10   1    -0.05   0.05   0.00    -0.04  -0.00   0.00    -0.07   0.05  -0.14
    11   1     0.07  -0.02  -0.07     0.01  -0.09   0.10     0.22  -0.11  -0.12
    12   8     0.04   0.06  -0.02    -0.00   0.04  -0.02     0.02  -0.03   0.01
    13   6    -0.04   0.16  -0.01    -0.16   0.13   0.09    -0.14   0.03   0.06
    14   1    -0.29   0.07   0.15     0.39  -0.11  -0.06     0.07   0.36   0.03
    15   8    -0.01  -0.02   0.01    -0.01  -0.01  -0.01     0.04   0.06  -0.03
    16   1     0.11  -0.07  -0.02    -0.15   0.09  -0.05    -0.14  -0.11   0.05
    17   1    -0.01  -0.04  -0.01    -0.02   0.07   0.06    -0.00  -0.06  -0.03
    18   1     0.14  -0.02   0.07    -0.21   0.05  -0.15     0.26  -0.02   0.13
    19   1    -0.29  -0.32   0.23     0.17   0.23  -0.15    -0.11  -0.17   0.10
    20   8     0.09  -0.11  -0.04     0.09  -0.13  -0.07     0.05  -0.06  -0.04
    21   1    -0.08  -0.26  -0.02    -0.08   0.16   0.08    -0.01   0.31   0.06
    22   1    -0.14   0.30   0.31    -0.34   0.15  -0.08     0.07  -0.16  -0.21
    23   1    -0.01  -0.07   0.00     0.08   0.23  -0.00    -0.02  -0.05  -0.02
    24   1    -0.29   0.13   0.19    -0.07  -0.02   0.05     0.28  -0.21  -0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1094.2491              1101.0153              1110.5272
 Red. masses --      3.7391                 2.8179                 3.0851
 Frc consts  --      2.6378                 2.0126                 2.2417
 IR Inten    --    188.6867                14.7454               120.2010
 RamAct Fr= 1--      6.1542                 5.9171                 6.6470
  Dep-P Fr= 1--      0.5055                 0.2742                 0.7435
  Dep-U Fr= 1--      0.6716                 0.4303                 0.8529
 Alpha2 Fr= 1--      0.0296                 0.0655                 0.0007
 Beta2  Fr= 1--      0.6888                 0.4244                 0.9449
 AlphaG Fr= 1--     -0.0364                 0.0166                -0.0001
 Gamma2 Fr= 1--     -0.4986                -1.0153                -0.4738
 Delta2 Fr= 1--     -0.1280                -0.4542                -0.5782
 Raman1 Fr= 1--      24.617                 23.668                 26.588
 ROA1   Fr= 1--     -51.964               -112.004                -63.988
 CID1   Fr= 1--      -2.111                 -4.732                 -2.407
 Raman2 Fr= 1--       8.266                  5.093                 11.338
 ROA2   Fr= 1--     -10.942                -20.734                 -6.746
 CID2   Fr= 1--      -1.324                 -4.072                 -0.595
 Raman3 Fr= 1--      16.532                 10.185                 22.677
 ROA3   Fr= 1--     -51.964               -112.004                -63.988
 CID3   Fr= 1--      -3.143                -10.997                 -2.822
 RC180  Fr= 1--       0.343                 -0.139                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.07     0.01   0.04  -0.12    -0.20   0.21   0.00
     2   6     0.12   0.05   0.06    -0.02  -0.02   0.15     0.09  -0.05   0.02
     3   6     0.08   0.17   0.08     0.00  -0.12   0.08     0.16   0.08  -0.02
     4   6     0.14   0.01  -0.06    -0.11   0.08  -0.10    -0.06   0.04   0.03
     5   8    -0.14  -0.07  -0.02    -0.08  -0.05   0.01     0.03  -0.01   0.01
     6   6     0.14   0.01   0.02     0.15  -0.03  -0.05    -0.06   0.01   0.02
     7   8    -0.03   0.02   0.02    -0.01   0.00   0.02     0.07  -0.13  -0.09
     8   1    -0.12  -0.29  -0.07     0.19   0.10  -0.11    -0.27   0.21  -0.01
     9   8    -0.09   0.00  -0.05    -0.02  -0.01  -0.02    -0.02  -0.02  -0.01
    10   1     0.13   0.15   0.05    -0.03   0.23   0.16     0.21  -0.19   0.01
    11   1     0.05   0.19   0.08     0.17  -0.28   0.07     0.47   0.02  -0.01
    12   8    -0.04  -0.08   0.04     0.04   0.07  -0.06    -0.02  -0.07   0.03
    13   6    -0.13   0.13   0.02     0.01   0.03   0.14    -0.01   0.01   0.03
    14   1     0.34  -0.08  -0.04    -0.19   0.16  -0.10    -0.09   0.04   0.03
    15   8     0.00   0.00   0.01    -0.02  -0.01   0.00     0.01   0.01  -0.00
    16   1     0.07  -0.02   0.01     0.19   0.12  -0.06    -0.11   0.03   0.03
    17   1    -0.12   0.28   0.15    -0.01   0.02   0.01    -0.08   0.30   0.19
    18   1     0.11  -0.03   0.09    -0.22   0.03  -0.11    -0.30   0.04  -0.17
    19   1     0.13   0.11  -0.07    -0.12  -0.11   0.08    -0.19  -0.26   0.12
    20   8     0.08  -0.10  -0.06     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    21   1    -0.17   0.03   0.00     0.13   0.34   0.14     0.05   0.05   0.03
    22   1    -0.35   0.24   0.06     0.17  -0.14  -0.17     0.03  -0.02  -0.02
    23   1    -0.05  -0.10   0.01     0.07   0.27   0.01    -0.01  -0.05  -0.00
    24   1    -0.20   0.07   0.12     0.17  -0.12  -0.12     0.02  -0.01   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1116.0466              1141.8687              1158.8695
 Red. masses --      3.7940                 3.8332                 2.8519
 Frc consts  --      2.7843                 2.9447                 2.2566
 IR Inten    --    135.5346                 6.2671                41.1292
 RamAct Fr= 1--      5.8398                 5.5908                 3.4038
  Dep-P Fr= 1--      0.5026                 0.7366                 0.4624
  Dep-U Fr= 1--      0.6690                 0.8483                 0.6324
 Alpha2 Fr= 1--      0.0285                 0.0013                 0.0198
 Beta2  Fr= 1--      0.6511                 0.7905                 0.3587
 AlphaG Fr= 1--     -0.0179                -0.0005                -0.0052
 Gamma2 Fr= 1--      1.4416                -1.4760                 1.9197
 Delta2 Fr= 1--      0.7802                -0.8082                 1.2349
 Raman1 Fr= 1--      23.359                 22.363                 13.615
 ROA1   Fr= 1--     163.361               -167.558                223.809
 CID1   Fr= 1--       6.993                 -7.493                 16.438
 Raman2 Fr= 1--       7.813                  9.486                  4.305
 ROA2   Fr= 1--      28.357                -28.958                 36.193
 CID2   Fr= 1--       3.629                 -3.053                  8.408
 Raman3 Fr= 1--      15.627                 18.971                  8.610
 ROA3   Fr= 1--     163.361               -167.558                223.809
 CID3   Fr= 1--      10.454                 -8.832                 25.995
 RC180  Fr= 1--       0.338                  0.697                  0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.00     0.05  -0.08  -0.06     0.04  -0.12  -0.01
     2   6    -0.18  -0.11  -0.05    -0.23   0.00  -0.01     0.13  -0.04  -0.09
     3   6     0.02   0.03  -0.07     0.11   0.25  -0.07     0.01   0.04  -0.00
     4   6     0.08   0.09   0.06    -0.14  -0.08  -0.05    -0.10  -0.06  -0.04
     5   8    -0.09  -0.09  -0.04     0.04   0.03  -0.03     0.07   0.02   0.00
     6   6     0.15   0.24   0.02     0.04  -0.10  -0.03    -0.07   0.22   0.01
     7   8     0.02  -0.01  -0.00    -0.03   0.01   0.02    -0.04   0.04   0.02
     8   1     0.06   0.28  -0.00     0.14  -0.09  -0.07     0.06  -0.18  -0.01
     9   8     0.10   0.00   0.07     0.11   0.01   0.06    -0.05   0.01  -0.02
    10   1    -0.22  -0.27  -0.05    -0.39   0.22   0.01     0.25  -0.10  -0.10
    11   1    -0.08   0.06  -0.07     0.29   0.28  -0.06     0.06   0.06  -0.01
    12   8    -0.02  -0.04   0.02    -0.06  -0.12   0.08     0.00  -0.01   0.01
    13   6    -0.05   0.02  -0.07     0.08   0.00   0.08     0.03   0.03   0.08
    14   1     0.12   0.00   0.07    -0.25  -0.25  -0.06    -0.33  -0.16  -0.04
    15   8    -0.04  -0.14   0.05    -0.01   0.04  -0.02    -0.02  -0.14   0.04
    16   1     0.24   0.40   0.00     0.24  -0.12  -0.03    -0.13   0.54   0.01
    17   1     0.11  -0.29  -0.17    -0.08   0.16   0.14    -0.09   0.20   0.12
    18   1    -0.26   0.08  -0.11     0.03   0.03   0.00     0.06  -0.02   0.05
    19   1    -0.02  -0.04   0.01     0.06   0.01  -0.02    -0.01  -0.02   0.02
    20   8     0.02  -0.02   0.00    -0.01   0.01  -0.01    -0.01  -0.01  -0.02
    21   1    -0.12  -0.12  -0.08     0.15   0.10   0.09    -0.02   0.19   0.09
    22   1    -0.09   0.10   0.09     0.15  -0.06  -0.03     0.23  -0.11  -0.04
    23   1     0.01   0.16   0.07     0.06   0.14  -0.02     0.04   0.23   0.06
    24   1    -0.04   0.01   0.03    -0.03   0.03   0.01     0.14  -0.10  -0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1201.1061              1235.6450              1238.8256
 Red. masses --      1.2908                 1.2449                 1.1876
 Frc consts  --      1.0971                 1.1199                 1.0739
 IR Inten    --     21.5944                22.7025                 7.9979
 RamAct Fr= 1--      0.7609                 4.1622                 3.7058
  Dep-P Fr= 1--      0.6009                 0.7499                 0.3569
  Dep-U Fr= 1--      0.7507                 0.8571                 0.5261
 Alpha2 Fr= 1--      0.0021                 0.0000                 0.0318
 Beta2  Fr= 1--      0.0952                 0.5945                 0.3249
 AlphaG Fr= 1--      0.0045                 0.0007                 0.0009
 Gamma2 Fr= 1--      0.6424                -2.3620                 0.0365
 Delta2 Fr= 1--      0.6949                -1.0138                 0.4832
 Raman1 Fr= 1--       3.044                 16.649                 14.823
 ROA1   Fr= 1--      83.910               -259.196                 18.968
 CID1   Fr= 1--      27.570                -15.568                  1.280
 Raman2 Fr= 1--       1.142                  7.135                  3.899
 ROA2   Fr= 1--       9.859                -48.578                 -2.989
 CID2   Fr= 1--       8.630                 -6.809                 -0.766
 Raman3 Fr= 1--       2.285                 14.269                  7.798
 ROA3   Fr= 1--      83.910               -259.196                 18.968
 CID3   Fr= 1--      36.725                -18.165                  2.432
 RC180  Fr= 1--       0.501                  0.714                  0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.04    -0.03  -0.02   0.06     0.02   0.02  -0.04
     2   6     0.04  -0.02  -0.01     0.01   0.00  -0.01    -0.02   0.00   0.05
     3   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.01    -0.03  -0.01  -0.03
     4   6    -0.03   0.05   0.05     0.05  -0.04   0.04    -0.00   0.01   0.06
     5   8    -0.00  -0.00  -0.00    -0.02   0.02  -0.02    -0.00   0.00  -0.01
     6   6     0.02  -0.02   0.00     0.03  -0.03  -0.01     0.01   0.01  -0.02
     7   8    -0.01   0.00  -0.01     0.01   0.00  -0.01    -0.02  -0.02   0.00
     8   1     0.36   0.17   0.05    -0.01   0.16   0.07     0.52   0.01  -0.05
     9   8    -0.01  -0.01  -0.00     0.01  -0.02   0.00    -0.01   0.01  -0.01
    10   1     0.07   0.49   0.02     0.07   0.45   0.01    -0.02  -0.37   0.03
    11   1     0.37  -0.15  -0.06    -0.12   0.29  -0.01     0.09  -0.07  -0.03
    12   8    -0.00   0.00   0.01     0.01  -0.00   0.01     0.01   0.00  -0.00
    13   6     0.01  -0.03  -0.05    -0.02   0.06  -0.01    -0.02   0.03  -0.04
    14   1     0.21  -0.10   0.05    -0.02  -0.16   0.04     0.17  -0.23   0.06
    15   8    -0.01  -0.01  -0.01    -0.01   0.01  -0.00     0.01   0.01   0.01
    16   1    -0.08   0.18  -0.00    -0.07  -0.02  -0.01    -0.06  -0.13  -0.02
    17   1    -0.06   0.15   0.10     0.03  -0.08  -0.04    -0.14   0.34   0.22
    18   1    -0.18   0.02  -0.10    -0.25   0.04  -0.14     0.20  -0.03   0.12
    19   1     0.08   0.10  -0.07    -0.06  -0.07   0.05    -0.03  -0.04   0.01
    20   8     0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.21  -0.23  -0.05    -0.40   0.18  -0.01    -0.15  -0.00  -0.04
    22   1    -0.15   0.07   0.04     0.38  -0.12   0.04     0.26  -0.08   0.05
    23   1     0.07   0.22  -0.00     0.02   0.03  -0.01    -0.08  -0.21   0.01
    24   1    -0.12   0.09   0.08     0.28  -0.20  -0.17     0.18  -0.12  -0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1259.9350              1279.2518              1317.8586
 Red. masses --      1.1653                 1.3214                 1.2185
 Frc consts  --      1.0899                 1.2741                 1.2469
 IR Inten    --     18.6768                54.2007                 5.6650
 RamAct Fr= 1--      3.9869                 3.2063                 2.5799
  Dep-P Fr= 1--      0.4249                 0.2149                 0.7500
  Dep-U Fr= 1--      0.5964                 0.3537                 0.8571
 Alpha2 Fr= 1--      0.0270                 0.0418                 0.0000
 Beta2  Fr= 1--      0.3963                 0.1890                 0.3686
 AlphaG Fr= 1--      0.0578                 0.0080                -0.0000
 Gamma2 Fr= 1--      0.6732                -1.0254                -0.4392
 Delta2 Fr= 1--     -0.1768                -1.1006                -0.3137
 Raman1 Fr= 1--      15.948                 12.825                 10.319
 ROA1   Fr= 1--      58.970               -133.655                -52.202
 CID1   Fr= 1--       3.698                -10.421                 -5.059
 Raman2 Fr= 1--       4.755                  2.268                  4.423
 ROA2   Fr= 1--      17.572                -15.804                 -8.031
 CID2   Fr= 1--       3.695                 -6.967                 -1.816
 Raman3 Fr= 1--       9.511                  4.537                  8.845
 ROA3   Fr= 1--      58.970               -133.655                -52.202
 CID3   Fr= 1--       6.200                -29.459                 -5.902
 RC180  Fr= 1--       0.193                 -0.293                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.04     0.00  -0.04   0.01     0.03   0.02   0.01
     2   6     0.01  -0.02   0.00    -0.05   0.07   0.03     0.01   0.02  -0.01
     3   6    -0.03  -0.01  -0.03    -0.01  -0.00  -0.03    -0.01   0.00   0.01
     4   6     0.02  -0.01  -0.07    -0.01   0.01  -0.03    -0.04  -0.03  -0.00
     5   8    -0.01  -0.00   0.02     0.01  -0.02   0.02    -0.01  -0.01  -0.02
     6   6     0.00  -0.02   0.02    -0.03   0.08  -0.06    -0.07  -0.02   0.07
     7   8    -0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1     0.29   0.16   0.04     0.22  -0.04   0.00    -0.05  -0.24  -0.01
     9   8    -0.01   0.01  -0.00     0.01  -0.03  -0.01     0.00  -0.01  -0.00
    10   1    -0.10  -0.01   0.00     0.59   0.01   0.05     0.14  -0.03  -0.00
    11   1    -0.34   0.50  -0.04     0.02   0.21  -0.04    -0.00  -0.01   0.01
    12   8     0.03  -0.01   0.00     0.00  -0.00   0.01     0.00   0.00  -0.00
    13   6     0.01  -0.03   0.02     0.01  -0.02   0.02    -0.01   0.03  -0.04
    14   1     0.02   0.22  -0.07    -0.05   0.14  -0.03     0.41   0.23   0.00
    15   8    -0.00  -0.00  -0.01     0.01  -0.00   0.03     0.00  -0.01  -0.02
    16   1    -0.00   0.12   0.02     0.16  -0.30  -0.04     0.71   0.05   0.08
    17   1    -0.09   0.21   0.14     0.01  -0.05  -0.02    -0.03   0.07   0.05
    18   1     0.11  -0.02   0.06    -0.37   0.05  -0.20    -0.07   0.01  -0.03
    19   1    -0.28  -0.35   0.22    -0.02  -0.03   0.02    -0.02  -0.03   0.02
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.01
    21   1     0.06   0.01   0.01     0.09  -0.00   0.02     0.05  -0.11  -0.04
    22   1    -0.18   0.04  -0.05    -0.09   0.01  -0.03     0.21  -0.04   0.05
    23   1     0.04   0.15  -0.00    -0.12  -0.40   0.01     0.10   0.25  -0.01
    24   1    -0.12   0.08   0.07    -0.08   0.06   0.05     0.10  -0.07  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1320.6059              1345.3082              1359.0493
 Red. masses --      1.2621                 1.2460                 1.2546
 Frc consts  --      1.2969                 1.3286                 1.3653
 IR Inten    --     33.3439                53.1275                11.3336
 RamAct Fr= 1--      2.3496                 2.2947                 1.4184
  Dep-P Fr= 1--      0.7470                 0.5079                 0.2493
  Dep-U Fr= 1--      0.8552                 0.6736                 0.3991
 Alpha2 Fr= 1--      0.0001                 0.0109                 0.0168
 Beta2  Fr= 1--      0.3349                 0.2576                 0.0943
 AlphaG Fr= 1--      0.0009                 0.0030                 0.0125
 Gamma2 Fr= 1--      2.3174                -0.6501                -0.3845
 Delta2 Fr= 1--      0.7656                 0.7210                -0.2842
 Raman1 Fr= 1--       9.399                  9.179                  5.674
 ROA1   Fr= 1--     246.974                -39.334                -46.006
 CID1   Fr= 1--      26.278                 -4.285                 -8.109
 Raman2 Fr= 1--       4.019                  3.092                  1.132
 ROA2   Fr= 1--      49.493                -21.370                 -6.954
 CID2   Fr= 1--      12.316                 -6.912                 -6.142
 Raman3 Fr= 1--       8.037                  6.183                  2.264
 ROA3   Fr= 1--     246.974                -39.334                -46.006
 CID3   Fr= 1--      30.728                 -6.361                -20.319
 RC180  Fr= 1--       0.710                  0.347                 -0.202
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.07  -0.05  -0.05     0.00   0.02  -0.02
     2   6    -0.00   0.01  -0.02    -0.03  -0.04   0.04     0.04  -0.01  -0.01
     3   6    -0.03   0.04   0.07    -0.02  -0.01   0.01    -0.02  -0.02  -0.02
     4   6    -0.07   0.03  -0.04    -0.00  -0.02   0.00    -0.01  -0.08  -0.02
     5   8     0.02  -0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.04
     6   6     0.02   0.02  -0.02    -0.01  -0.02   0.02     0.03   0.02  -0.05
     7   8     0.01   0.02   0.01     0.02   0.02   0.01     0.00   0.00   0.01
     8   1    -0.16  -0.13  -0.02    -0.01   0.47  -0.02     0.01  -0.17  -0.04
     9   8     0.00  -0.00   0.01    -0.02   0.04  -0.03     0.00  -0.00   0.02
    10   1    -0.03   0.02  -0.02     0.31  -0.10   0.06    -0.36   0.05  -0.03
    11   1     0.02   0.13   0.07     0.36   0.31  -0.01     0.29   0.24  -0.04
    12   8     0.04  -0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.00   0.02
    13   6    -0.02   0.01  -0.02     0.00   0.01  -0.00    -0.01   0.05  -0.02
    14   1     0.49  -0.43  -0.03     0.05   0.08  -0.00     0.11   0.62  -0.02
    15   8     0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.02
    16   1    -0.25  -0.03  -0.03     0.12   0.13   0.02    -0.26   0.04  -0.05
    17   1     0.09  -0.21  -0.13     0.13  -0.31  -0.19     0.01  -0.01  -0.01
    18   1    -0.04   0.01  -0.02     0.42  -0.06   0.21    -0.07   0.01  -0.04
    19   1    -0.26  -0.33   0.20     0.03   0.03  -0.02     0.08   0.10  -0.05
    20   8     0.00   0.01   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    21   1     0.28  -0.18  -0.02     0.01  -0.02  -0.00     0.19  -0.16  -0.02
    22   1     0.12  -0.04   0.02     0.03   0.00   0.01     0.10   0.03   0.07
    23   1    -0.03  -0.08   0.00    -0.00   0.03   0.00    -0.06  -0.20   0.01
    24   1     0.02  -0.01  -0.02     0.04  -0.03  -0.02     0.18  -0.13  -0.11
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1369.1088              1385.6796              1402.7508
 Red. masses --      1.2764                 1.2550                 1.4008
 Frc consts  --      1.4097                 1.4198                 1.6240
 IR Inten    --      1.5876                23.2594                 5.5738
 RamAct Fr= 1--      3.1808                 5.1179                 2.9075
  Dep-P Fr= 1--      0.5345                 0.7448                 0.7496
  Dep-U Fr= 1--      0.6966                 0.8538                 0.8569
 Alpha2 Fr= 1--      0.0132                 0.0004                 0.0000
 Beta2  Fr= 1--      0.3693                 0.7282                 0.4152
 AlphaG Fr= 1--     -0.0144                 0.0095                 0.0007
 Gamma2 Fr= 1--     -0.2431                -0.1369                 0.2061
 Delta2 Fr= 1--     -0.1160                -1.0430                -1.0016
 Raman1 Fr= 1--      12.723                 20.471                 11.630
 ROA1   Fr= 1--     -27.050                -46.517                -12.263
 CID1   Fr= 1--      -2.126                 -2.272                 -1.054
 Raman2 Fr= 1--       4.432                  8.739                  4.983
 ROA2   Fr= 1--      -4.907                  5.059                 12.959
 CID2   Fr= 1--      -1.107                  0.579                  2.601
 Raman3 Fr= 1--       8.863                 17.478                  9.966
 ROA3   Fr= 1--     -27.050                -46.517                -12.263
 CID3   Fr= 1--      -3.052                 -2.662                 -1.231
 RC180  Fr= 1--       0.393                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04   0.04    -0.01   0.01   0.00     0.02   0.02  -0.00
     2   6    -0.03  -0.04   0.03    -0.03   0.05  -0.01     0.05  -0.08   0.03
     3   6     0.07   0.04   0.00     0.02  -0.02  -0.01    -0.06  -0.00   0.01
     4   6    -0.03  -0.02  -0.02     0.05   0.01  -0.02     0.06   0.04  -0.01
     5   8     0.00  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.01  -0.02
     6   6     0.00   0.02  -0.04     0.03  -0.03   0.06    -0.08   0.07  -0.05
     7   8    -0.01  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.20   0.49   0.08     0.08  -0.09  -0.01    -0.06  -0.02  -0.00
     9   8    -0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    10   1     0.10   0.18   0.04     0.24  -0.20  -0.01    -0.35   0.31   0.02
    11   1    -0.45  -0.33   0.02    -0.08   0.11  -0.01     0.18   0.08   0.00
    12   8    -0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.01  -0.00  -0.00
    13   6    -0.03   0.04  -0.01    -0.02   0.06  -0.00    -0.00   0.01   0.01
    14   1     0.09   0.14  -0.02    -0.31  -0.16  -0.03    -0.31  -0.28  -0.02
    15   8     0.00   0.01   0.02    -0.01  -0.01  -0.03     0.01   0.00   0.01
    16   1     0.02   0.06  -0.04    -0.18  -0.10   0.06     0.46  -0.25  -0.03
    17   1    -0.08   0.18   0.11     0.00  -0.01  -0.01    -0.01   0.02   0.02
    18   1     0.12  -0.02   0.06    -0.07   0.01  -0.04     0.11  -0.02   0.06
    19   1     0.03   0.04  -0.02     0.05   0.06  -0.04    -0.08  -0.11   0.06
    20   8    -0.01  -0.00   0.02    -0.03  -0.02   0.03    -0.02  -0.01   0.01
    21   1     0.32  -0.17  -0.01     0.44  -0.23  -0.01     0.17  -0.07   0.00
    22   1     0.10   0.01   0.07    -0.17   0.18   0.12    -0.22   0.14   0.04
    23   1    -0.07  -0.22   0.01     0.10   0.32  -0.02    -0.06  -0.20   0.01
    24   1     0.13  -0.09  -0.08     0.34  -0.26  -0.20     0.18  -0.14  -0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1418.0310              1429.9965              1432.6526
 Red. masses --      1.5647                 1.4603                 1.2582
 Frc consts  --      1.8538                 1.7594                 1.5215
 IR Inten    --      7.4739                42.1373                42.1955
 RamAct Fr= 1--      5.2620                 2.3398                 0.9216
  Dep-P Fr= 1--      0.7427                 0.6597                 0.7495
  Dep-U Fr= 1--      0.8524                 0.7950                 0.8568
 Alpha2 Fr= 1--      0.0007                 0.0038                 0.0000
 Beta2  Fr= 1--      0.7475                 0.3100                 0.1316
 AlphaG Fr= 1--     -0.0037                -0.0132                 0.0011
 Gamma2 Fr= 1--      0.7244                -0.8541                 0.0898
 Delta2 Fr= 1--      0.6560                 0.0322                 0.1757
 Raman1 Fr= 1--      21.048                  9.359                  3.686
 ROA1   Fr= 1--      90.539                -80.962                 14.244
 CID1   Fr= 1--       4.302                 -8.651                  3.864
 Raman2 Fr= 1--       8.970                  3.720                  1.579
 ROA2   Fr= 1--      12.138                -20.756                  0.751
 CID2   Fr= 1--       1.353                 -5.580                  0.475
 Raman3 Fr= 1--      17.941                  7.440                  3.159
 ROA3   Fr= 1--      90.539                -80.962                 14.244
 CID3   Fr= 1--       5.047                -10.882                  4.509
 RC180  Fr= 1--       0.705                  0.590                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.08   0.02     0.09   0.06   0.01    -0.03   0.04   0.01
     2   6    -0.10  -0.08  -0.02    -0.03  -0.05  -0.00    -0.01   0.01  -0.02
     3   6    -0.09   0.04   0.00    -0.00  -0.10   0.00     0.02  -0.02  -0.00
     4   6     0.02  -0.02   0.01     0.02   0.02  -0.00     0.03   0.03  -0.00
     5   8    -0.00   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.01  -0.01
     6   6     0.04  -0.02   0.00     0.02   0.02   0.01    -0.02  -0.10  -0.04
     7   8    -0.01  -0.02  -0.01    -0.02  -0.02  -0.02     0.00   0.00   0.01
     8   1    -0.24  -0.31   0.00    -0.30  -0.08   0.01     0.15  -0.26  -0.02
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.01  -0.00   0.00
    10   1     0.50   0.26   0.03     0.14   0.13   0.02     0.07   0.02  -0.02
    11   1     0.22  -0.17   0.01     0.09   0.41  -0.02    -0.09   0.05  -0.00
    12   8     0.02  -0.01  -0.01    -0.02   0.01   0.02    -0.01  -0.00   0.00
    13   6     0.06   0.00  -0.01    -0.10  -0.01   0.01    -0.03   0.00   0.00
    14   1     0.00   0.15   0.01    -0.09  -0.16   0.00    -0.13  -0.16  -0.01
    15   8    -0.00   0.01   0.00    -0.00  -0.00  -0.01     0.01   0.03   0.05
    16   1    -0.22   0.12  -0.01    -0.07  -0.10   0.01     0.16   0.78  -0.08
    17   1    -0.06   0.14   0.10    -0.10   0.23   0.13     0.02  -0.05  -0.03
    18   1     0.20  -0.03   0.11     0.09  -0.01   0.05     0.01  -0.00  -0.00
    19   1    -0.14  -0.18   0.11     0.14   0.19  -0.11     0.03   0.03  -0.02
    20   8    -0.02  -0.01   0.00     0.03   0.02  -0.01     0.00  -0.00   0.00
    21   1    -0.23   0.05  -0.01     0.28  -0.05   0.01     0.14  -0.03   0.00
    22   1    -0.23   0.15   0.01     0.38  -0.27  -0.04     0.03  -0.02   0.02
    23   1    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.13  -0.38   0.03
    24   1     0.13  -0.10  -0.07    -0.26   0.21   0.15     0.01  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1438.1514              1447.6124              1502.5198
 Red. masses --      1.4296                 1.7654                 1.0860
 Frc consts  --      1.7422                 2.1797                 1.4446
 IR Inten    --      9.7364                23.8135                 2.1214
 RamAct Fr= 1--      2.8397                 3.8981                 5.6955
  Dep-P Fr= 1--      0.1581                 0.7085                 0.7493
  Dep-U Fr= 1--      0.2730                 0.8294                 0.8567
 Alpha2 Fr= 1--      0.0430                 0.0028                 0.0001
 Beta2  Fr= 1--      0.1292                 0.5389                 0.8132
 AlphaG Fr= 1--     -0.0009                 0.0001                 0.0008
 Gamma2 Fr= 1--      0.7553                 0.7432                 0.4424
 Delta2 Fr= 1--      0.5715                -0.1701                 0.6024
 Raman1 Fr= 1--      11.359                 15.593                 22.782
 ROA1   Fr= 1--      90.797                 65.908                 61.747
 CID1   Fr= 1--       7.993                  4.227                  2.710
 Raman2 Fr= 1--       1.550                  6.466                  9.759
 ROA2   Fr= 1--      13.554                 19.199                  5.798
 CID2   Fr= 1--       8.743                  2.969                  0.594
 Raman3 Fr= 1--       3.101                 12.932                 19.517
 ROA3   Fr= 1--      90.797                 65.908                 61.747
 CID3   Fr= 1--      29.282                  5.096                  3.164
 RC180  Fr= 1--      -0.454                  0.659                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.01    -0.07   0.07   0.01     0.00   0.00   0.00
     2   6    -0.01  -0.07  -0.00    -0.01  -0.10  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.08  -0.01     0.13  -0.08  -0.01     0.00  -0.00   0.00
     4   6     0.06  -0.06   0.00    -0.11   0.04  -0.01    -0.01  -0.00  -0.00
     5   8    -0.00   0.00   0.00     0.01  -0.01   0.01     0.00   0.00   0.00
     6   6     0.00   0.03   0.01    -0.00   0.04  -0.01    -0.00   0.00   0.00
     7   8     0.02   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
     8   1     0.40  -0.29  -0.03     0.26  -0.34  -0.03    -0.01  -0.00   0.00
     9   8    -0.01   0.02  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    10   1     0.10   0.21   0.02     0.09   0.31   0.03     0.00   0.00  -0.00
    11   1    -0.11  -0.34   0.01    -0.38   0.23  -0.00    -0.00   0.02  -0.00
    12   8     0.01  -0.01  -0.01    -0.04   0.00   0.02    -0.00   0.00   0.00
    13   6    -0.08   0.00   0.00     0.07   0.00   0.00    -0.02  -0.06  -0.05
    14   1    -0.21   0.18  -0.00     0.29  -0.09  -0.01     0.07   0.01  -0.00
    15   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    16   1    -0.05  -0.20   0.02    -0.04  -0.18  -0.00    -0.00  -0.01   0.00
    17   1     0.09  -0.23  -0.13     0.04  -0.09  -0.06    -0.00   0.00   0.00
    18   1     0.18  -0.02   0.09     0.23  -0.03   0.11     0.00  -0.00   0.00
    19   1    -0.11  -0.14   0.08     0.20   0.26  -0.15     0.01   0.01  -0.01
    20   8     0.02   0.01  -0.01    -0.01  -0.01   0.00     0.00  -0.01  -0.00
    21   1     0.24  -0.03   0.01    -0.18   0.01  -0.00     0.23   0.65  -0.01
    22   1     0.32  -0.19   0.02    -0.20   0.12  -0.03     0.01   0.19   0.69
    23   1     0.03   0.09  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.16   0.13   0.09     0.09  -0.08  -0.06    -0.01  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2973.5714              2980.3982              2986.5567
 Red. masses --      1.0815                 1.0794                 1.0734
 Frc consts  --      5.6340                 5.6490                 5.6408
 IR Inten    --      8.3396                 5.9712                26.5340
 RamAct Fr= 1--     66.1001                93.2510               253.8715
  Dep-P Fr= 1--      0.1625                 0.1756                 0.1311
  Dep-U Fr= 1--      0.2795                 0.2988                 0.2319
 Alpha2 Fr= 1--      0.9899                 1.3498                 4.1155
 Beta2  Fr= 1--      3.0792                 4.6441                 9.8104
 AlphaG Fr= 1--      0.2034                 0.1032                 0.5452
 Gamma2 Fr= 1--      1.0233                 9.2611               -10.9623
 Delta2 Fr= 1--     -0.7632                 9.0245               -12.4373
 Raman1 Fr= 1--     264.400                373.004               1015.486
 ROA1   Fr= 1--      73.809               1177.851              -1450.377
 CID1   Fr= 1--       0.279                  3.158                 -1.428
 Raman2 Fr= 1--      36.951                 55.729                117.725
 ROA2   Fr= 1--      30.664                150.071               -163.597
 CID2   Fr= 1--       0.830                  2.693                 -1.390
 Raman3 Fr= 1--      73.901                111.458                235.451
 ROA3   Fr= 1--      73.809               1177.851              -1450.377
 CID3   Fr= 1--       0.999                 10.568                 -6.160
 RC180  Fr= 1--      -0.441                 -0.402                 -0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.02     0.00  -0.00   0.04     0.00  -0.00   0.01
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.01
     3   6     0.00   0.00   0.02    -0.00  -0.00  -0.06    -0.00  -0.00  -0.02
     4   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.04
     5   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01   0.01  -0.21    -0.02   0.03  -0.54    -0.00   0.01  -0.09
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.04  -0.04   0.91    -0.01  -0.01   0.13    -0.00  -0.00   0.08
    11   1    -0.01  -0.01  -0.29     0.02   0.02   0.77     0.00   0.01   0.23
    12   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.01  -0.00  -0.06
    14   1    -0.00  -0.00   0.09    -0.00   0.00  -0.04     0.01  -0.00  -0.45
    15   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.00  -0.00  -0.13    -0.00   0.00   0.03    -0.00   0.00   0.02
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.01     0.01   0.01  -0.30    -0.02  -0.03   0.84
    22   1     0.00   0.00  -0.00    -0.02  -0.04   0.02     0.05   0.11  -0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.6264              3010.0398              3022.0048
 Red. masses --      1.0835                 1.0838                 1.0861
 Frc consts  --      5.7247                 5.7858                 5.8441
 IR Inten    --      7.4154                48.7311                99.2492
 RamAct Fr= 1--      7.0274                 9.9269                74.0869
  Dep-P Fr= 1--      0.3477                 0.3650                 0.1804
  Dep-U Fr= 1--      0.5160                 0.5348                 0.3057
 Alpha2 Fr= 1--      0.0622                 0.0830                 1.0592
 Beta2  Fr= 1--      0.6043                 0.8849                 3.7750
 AlphaG Fr= 1--      0.0936                -0.3001                -0.7177
 Gamma2 Fr= 1--     -0.7136                -0.3497                -2.1465
 Delta2 Fr= 1--     -0.4707                 1.2305                 1.0210
 Raman1 Fr= 1--      28.109                 39.708                296.348
 ROA1   Fr= 1--     -83.565                  5.810               -173.394
 CID1   Fr= 1--      -2.973                  0.146                 -0.585
 Raman2 Fr= 1--       7.252                 10.618                 45.300
 ROA2   Fr= 1--     -13.360                -18.236                -59.684
 CID2   Fr= 1--      -1.842                 -1.717                 -1.318
 Raman3 Fr= 1--      14.504                 21.237                 90.600
 ROA3   Fr= 1--     -83.565                  5.810               -173.394
 CID3   Fr= 1--      -5.761                  0.274                 -1.914
 RC180  Fr= 1--       0.032                  0.070                 -0.389
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.06    -0.00   0.00  -0.02    -0.00   0.00  -0.02
     2   6     0.00   0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.02
     3   6    -0.00  -0.00  -0.03    -0.00  -0.00  -0.03    -0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.03     0.00  -0.00  -0.06     0.00  -0.00  -0.02
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02    -0.00   0.00   0.03     0.00  -0.00  -0.07
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.02  -0.05   0.72     0.01  -0.01   0.22     0.01  -0.02   0.26
     9   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   1    -0.01  -0.02   0.29    -0.00  -0.00   0.03    -0.01  -0.01   0.21
    11   1     0.01   0.01   0.36     0.01   0.01   0.34     0.01   0.01   0.16
    12   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.02    -0.00  -0.01  -0.02    -0.00  -0.00  -0.01
    14   1     0.01   0.00  -0.39    -0.01   0.01   0.74    -0.01  -0.00   0.27
    15   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.21     0.01  -0.01  -0.40    -0.01   0.03   0.88
    17   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1     0.00   0.01  -0.24    -0.00  -0.01   0.32     0.00  -0.00   0.08
    22   1    -0.02  -0.05   0.02     0.03   0.08  -0.03     0.01   0.03  -0.01
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.01
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3120.3401              3758.1687              3779.2006
 Red. masses --      1.0918                 1.0650                 1.0659
 Frc consts  --      6.2634                 8.8623                 8.9691
 IR Inten    --      9.5646                35.2836                62.6297
 RamAct Fr= 1--     80.7160                83.9686                59.3192
  Dep-P Fr= 1--      0.2961                 0.1537                 0.1952
  Dep-U Fr= 1--      0.4569                 0.2664                 0.3266
 Alpha2 Fr= 1--      0.8375                 1.2860                 0.8159
 Beta2  Fr= 1--      6.1468                 3.7286                 3.2293
 AlphaG Fr= 1--      0.4677                -0.3682                -0.3909
 Gamma2 Fr= 1--      2.9566                -3.6234                -3.0518
 Delta2 Fr= 1--      2.7608                -1.0802                 1.6984
 Raman1 Fr= 1--     322.864                335.875                237.277
 ROA1   Fr= 1--     372.180               -382.412               -238.622
 CID1   Fr= 1--       1.153                 -1.139                 -1.006
 Raman2 Fr= 1--      73.761                 44.744                 38.751
 ROA2   Fr= 1--      48.873                -78.320                -86.830
 CID2   Fr= 1--       0.663                 -1.750                 -2.241
 Raman3 Fr= 1--     147.522                 89.487                 77.502
 ROA3   Fr= 1--     372.180               -382.412               -238.622
 CID3   Fr= 1--       2.523                 -4.273                 -3.079
 RC180  Fr= 1--      -0.086                 -0.467                 -0.347
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.04  -0.01
    13   6    -0.04  -0.07   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   8    -0.00  -0.00   0.00    -0.01   0.00  -0.06    -0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.01   0.00   0.00     0.02   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.66   0.70   0.17
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    21   1    -0.01  -0.00  -0.15    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.41   0.84  -0.29    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.14  -0.07   0.98     0.00  -0.00   0.00
    24   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.09   0.18  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3780.0707              3781.5602              3791.8308
 Red. masses --      1.0655                 1.0659                 1.0660
 Frc consts  --      8.9706                 8.9803                 9.0302
 IR Inten    --     18.8509                50.4122                59.1578
 RamAct Fr= 1--     74.8637                97.2623               109.0973
  Dep-P Fr= 1--      0.1059                 0.2058                 0.1749
  Dep-U Fr= 1--      0.1915                 0.3413                 0.2978
 Alpha2 Fr= 1--      1.2919                 1.3007                 1.5822
 Beta2  Fr= 1--      2.3899                 5.5328                 5.4142
 AlphaG Fr= 1--      0.0758                -0.5431                 0.6099
 Gamma2 Fr= 1--      2.2700                -0.2157                 2.8607
 Delta2 Fr= 1--     -1.1570                 2.2759                -0.7269
 Raman1 Fr= 1--     299.455                389.049                436.389
 ROA1   Fr= 1--     180.897                 52.123                251.369
 CID1   Fr= 1--       0.604                  0.134                  0.576
 Raman2 Fr= 1--      28.679                 66.394                 64.971
 ROA2   Fr= 1--      63.736                -23.384                 74.473
 CID2   Fr= 1--       2.222                 -0.352                  1.146
 Raman3 Fr= 1--      57.357                132.788                129.942
 ROA3   Fr= 1--     180.897                 52.123                251.369
 CID3   Fr= 1--       3.154                  0.393                  1.934
 RC180  Fr= 1--      -0.617                 -0.317                 -0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06  -0.01  -0.02
     8   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.02  -0.06   0.01    -0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.95   0.15   0.27
    18   1    -0.01  -0.03   0.01     0.29   0.94  -0.17     0.01   0.04  -0.01
    19   1     0.14  -0.15  -0.03    -0.01   0.01   0.00     0.01  -0.01  -0.00
    20   8    -0.03  -0.05   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.00   0.00   0.00     0.01  -0.00   0.05    -0.00   0.00  -0.00
    24   1     0.44   0.85  -0.17     0.02   0.03  -0.01     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1545.434132279.252613659.41250
           X            0.99995   0.00995   0.00294
           Y           -0.00994   0.99995  -0.00260
           Z           -0.00297   0.00257   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05605     0.03800     0.02367
 Rotational constants (GHZ):           1.16779     0.79181     0.49318
 Zero-point vibrational energy     516584.0 (Joules/Mol)
                                  123.46654 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.08   148.99   168.74   212.58   272.14
          (Kelvin)            336.83   349.18   394.88   434.16   465.14
                              495.13   542.27   563.95   567.10   591.80
                              595.80   610.45   644.05   708.30   826.29
                              865.47   912.17   921.28  1276.78  1433.95
                             1459.82  1470.66  1515.51  1538.68  1561.85
                             1574.38  1584.12  1597.80  1605.74  1642.89
                             1667.35  1728.12  1777.82  1782.39  1812.77
                             1840.56  1896.10  1900.06  1935.60  1955.37
                             1969.84  1993.68  2018.25  2040.23  2057.45
                             2061.27  2069.18  2082.79  2161.79  4278.31
                             4288.13  4296.99  4308.60  4330.78  4347.99
                             4489.47  5407.17  5437.43  5438.68  5440.82
                             5455.60
 
 Zero-point correction=                           0.196756 (Hartree/Particle)
 Thermal correction to Energy=                    0.209185
 Thermal correction to Enthalpy=                  0.210129
 Thermal correction to Gibbs Free Energy=         0.159089
 Sum of electronic and zero-point Energies=           -687.312796
 Sum of electronic and thermal Energies=              -687.300367
 Sum of electronic and thermal Enthalpies=            -687.299423
 Sum of electronic and thermal Free Energies=         -687.350464
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.266             47.610            107.424
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.934
 Vibrational            129.488             41.648             35.019
 Vibration     1          0.598              1.968              4.127
 Vibration     2          0.605              1.946              3.386
 Vibration     3          0.608              1.935              3.145
 Vibration     4          0.617              1.905              2.701
 Vibration     5          0.633              1.855              2.236
 Vibration     6          0.654              1.789              1.847
 Vibration     7          0.659              1.775              1.783
 Vibration     8          0.677              1.721              1.568
 Vibration     9          0.694              1.670              1.407
 Vibration    10          0.708              1.629              1.293
 Vibration    11          0.723              1.587              1.193
 Vibration    12          0.747              1.519              1.052
 Vibration    13          0.759              1.487              0.993
 Vibration    14          0.761              1.483              0.984
 Vibration    15          0.775              1.446              0.922
 Vibration    16          0.778              1.440              0.912
 Vibration    17          0.786              1.417              0.878
 Vibration    18          0.807              1.366              0.803
 Vibration    19          0.848              1.267              0.678
 Vibration    20          0.931              1.087              0.496
 Vibration    21          0.960              1.029              0.447
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.667206D-73        -73.175740       -168.493368
 Total V=0       0.211771D+18         17.325866         39.894282
 Vib (Bot)       0.546632D-87        -87.262305       -200.928882
 Vib (Bot)    1  0.290648D+01          0.463367          1.066942
 Vib (Bot)    2  0.198042D+01          0.296756          0.683306
 Vib (Bot)    3  0.174351D+01          0.241424          0.555899
 Vib (Bot)    4  0.137324D+01          0.137747          0.317175
 Vib (Bot)    5  0.105843D+01          0.024664          0.056791
 Vib (Bot)    6  0.839792D+00         -0.075828         -0.174601
 Vib (Bot)    7  0.806931D+00         -0.093164         -0.214517
 Vib (Bot)    8  0.702555D+00         -0.153319         -0.353031
 Vib (Bot)    9  0.629603D+00         -0.200933         -0.462665
 Vib (Bot)   10  0.580327D+00         -0.236327         -0.544164
 Vib (Bot)   11  0.538157D+00         -0.269091         -0.619604
 Vib (Bot)   12  0.480763D+00         -0.318069         -0.732380
 Vib (Bot)   13  0.457381D+00         -0.339722         -0.782238
 Vib (Bot)   14  0.454128D+00         -0.342822         -0.789377
 Vib (Bot)   15  0.429705D+00         -0.366830         -0.844657
 Vib (Bot)   16  0.425925D+00         -0.370667         -0.853492
 Vib (Bot)   17  0.412487D+00         -0.384590         -0.885550
 Vib (Bot)   18  0.383828D+00         -0.415864         -0.957562
 Vib (Bot)   19  0.336126D+00         -0.473498         -1.090270
 Vib (Bot)   20  0.266848D+00         -0.573737         -1.321078
 Vib (Bot)   21  0.247840D+00         -0.605828         -1.394972
 Vib (V=0)       0.173501D+04          3.239302          7.458768
 Vib (V=0)    1  0.344917D+01          0.537715          1.238134
 Vib (V=0)    2  0.254256D+01          0.405271          0.933171
 Vib (V=0)    3  0.231379D+01          0.364323          0.838885
 Vib (V=0)    4  0.196144D+01          0.292574          0.673677
 Vib (V=0)    5  0.167059D+01          0.222870          0.513178
 Vib (V=0)    6  0.147737D+01          0.169489          0.390263
 Vib (V=0)    7  0.144928D+01          0.161153          0.371069
 Vib (V=0)    8  0.136231D+01          0.134277          0.309184
 Vib (V=0)    9  0.130399D+01          0.115274          0.265429
 Vib (V=0)   10  0.126602D+01          0.102439          0.235874
 Vib (V=0)   11  0.123458D+01          0.091521          0.210734
 Vib (V=0)   12  0.119364D+01          0.076873          0.177006
 Vib (V=0)   13  0.117764D+01          0.071013          0.163513
 Vib (V=0)   14  0.117545D+01          0.070204          0.161651
 Vib (V=0)   15  0.115928D+01          0.064187          0.147797
 Vib (V=0)   16  0.115682D+01          0.063266          0.145674
 Vib (V=0)   17  0.114819D+01          0.060012          0.138184
 Vib (V=0)   18  0.113034D+01          0.053208          0.122515
 Vib (V=0)   19  0.110248D+01          0.042370          0.097561
 Vib (V=0)   20  0.106675D+01          0.028063          0.064618
 Vib (V=0)   21  0.105805D+01          0.024508          0.056432
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.128521D+07          6.108973         14.066430
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   1009999                                    544444433333322222111110000009   8    6665444443333332221111   
   98875                   2219887                                    043331086542176330541109865219   8    43079421199742074384107  
   22098                   0205704                                    388308369951890961926114693257   7    04242844142743243498741  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   X    XXXXXXXXXXXXXXXXXXXXXXX  
   XXXXX                    XX X                                       X XX  X  XX XX XXX XX X XXXXX   X       X  XXX XX X           
   XX XX                    XX                                           XX     XX X    X XX X XX  X   X       X   XX XX X           
   XX X                     XX                                           XX     X  X    X XX X XX  X   X           XX XX X           
   XX X                     XX                                                  X  X      XX X XX  X   X           XX XX X           
      X                     X                                                             XX X XX  X               XX XX X           
                            X                                                             XX X XX  X               XX XX             
                            X                                                             XX X XX                  XX X              
                            X                                                             XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          X  X X                   XX                
                                                                                          X  X X                   XX                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                                     
                                                                                               X                                     
                                                                                               X                                     
                                                                                               X                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000034318    0.000027081    0.000004064
      2        6          -0.000073648   -0.000010459   -0.000002651
      3        6          -0.000003951   -0.000050902    0.000028554
      4        6           0.000027295    0.000121440   -0.000063058
      5        8          -0.000018520   -0.000095602    0.000036723
      6        6           0.000016462    0.000054415   -0.000047598
      7        8           0.000016675   -0.000022594   -0.000014792
      8        1           0.000008745   -0.000009037   -0.000001925
      9        8           0.000049273    0.000016119    0.000036243
     10        1           0.000011747   -0.000001146    0.000002335
     11        1          -0.000005358    0.000000746   -0.000007861
     12        8           0.000006893    0.000017989   -0.000015948
     13        6          -0.000010629   -0.000012041    0.000017827
     14        1          -0.000005964   -0.000008930    0.000016423
     15        8           0.000009879   -0.000039999    0.000018329
     16        1           0.000003888    0.000000493    0.000002631
     17        1           0.000002704    0.000010423    0.000001701
     18        1           0.000010242    0.000006990   -0.000014132
     19        1           0.000001208    0.000005093    0.000000751
     20        8           0.000006727   -0.000007469   -0.000012391
     21        1          -0.000007288    0.000004692   -0.000000277
     22        1          -0.000000287   -0.000003056    0.000001335
     23        1          -0.000012356   -0.000000903    0.000009061
     24        1           0.000000581   -0.000003343    0.000004656
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000121440 RMS     0.000028099
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113383D+03  0.147698D+01  0.344018D+00
      2   0.147698D+01  0.107592D+03 -0.386199D+00
      3   0.344018D+00 -0.386199D+00  0.873146D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.229910D+00 -0.396412D+01 -0.196493D+01
      2  -0.289901D+01  0.190922D+01  0.657563D+01
      3   0.119897D+02 -0.123703D+02 -0.336089D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.292895D+02 -0.175461D+02 -0.982224D+01
      2  -0.259373D+02  0.191914D+02  0.420351D+01
      3  -0.335215D+01 -0.164529D+01  0.561873D+01
      4  -0.229227D+01 -0.111585D+02  0.185932D+01
      5  -0.239230D+01  0.240457D+01  0.107243D+02
      6  -0.381785D+01  0.783293D+01  0.186988D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.250061D+01 -0.243052D+01 -0.973768D+00 -0.265733D+01  0.260528D+01
      2  -0.243052D+01  0.313415D+01  0.229523D+00  0.260528D+01  0.285757D+00
      3  -0.973768D+00  0.229523D+00 -0.931731D+00  0.340257D+00 -0.931397D+00
                 6             7             8             9            10 
      1   0.340257D+00 -0.142262D+01  0.684048D+00 -0.145593D+00  0.333796D+01
      2  -0.931397D+00  0.684048D+00 -0.159920D+01 -0.572455D+00  0.183159D+01
      3   0.647241D+00 -0.145593D+00 -0.572455D+00  0.895779D+01  0.126404D+01
                11            12            13            14            15 
      1   0.183159D+01  0.126404D+01  0.179242D+01 -0.239852D+01 -0.235151D+00
      2  -0.167610D+01  0.163234D-01 -0.239852D+01 -0.134198D+01  0.522502D+00
      3   0.163234D-01 -0.193026D+01 -0.235151D+00  0.522502D+00  0.617483D+00
                16            17            18            19            20 
      1   0.241851D+01 -0.160860D+00 -0.651850D-01  0.200285D+01  0.233297D+01
      2  -0.160860D+00  0.551637D+00  0.518344D+00  0.233297D+01 -0.263954D+01
      3  -0.651850D-01  0.518344D+00 -0.926925D+01  0.796754D+00  0.165038D+00
                21            22            23            24            25 
      1   0.796754D+00  0.172001D+01 -0.347576D+01 -0.160534D-01  0.117902D+01
      2   0.165038D+00 -0.347576D+01 -0.171906D+01  0.104239D+01  0.448251D+00
      3   0.419553D+00 -0.160534D-01  0.104239D+01  0.133504D+01 -0.272921D+00
                26            27            28            29            30 
      1   0.448251D+00 -0.272921D+00 -0.209219D+01 -0.629432D-02 -0.994545D+00
      2   0.213322D+01  0.511350D+00 -0.629432D-02  0.308135D+01 -0.352220D+00
      3   0.511350D+00 -0.875946D+01 -0.994545D+00 -0.352220D+00 -0.521445D+00
                31            32            33            34            35 
      1   0.685289D+00  0.432768D+01  0.497349D+00 -0.152027D+01  0.162995D+00
      2   0.432768D+01  0.232259D+01 -0.101137D+01  0.162995D+00 -0.151218D+01
      3   0.497349D+00 -0.101137D+01 -0.827286D+00 -0.172657D+00  0.150898D+00
                36            37            38            39            40 
      1  -0.172657D+00  0.627526D+01 -0.226633D+00  0.748644D+00 -0.158549D+01
      2   0.150898D+00 -0.226633D+00 -0.258271D+00 -0.526441D+00 -0.802333D+00
      3   0.920412D+01  0.748644D+00 -0.526441D+00 -0.307792D+00 -0.245887D+00
                41            42            43            44            45 
      1  -0.802333D+00 -0.245887D+00  0.292150D+01  0.592887D+00  0.401028D+00
      2  -0.414507D+01  0.750297D+00  0.592887D+00  0.172543D+01 -0.428556D+00
      3   0.750297D+00  0.610134D+00  0.401028D+00 -0.428556D+00 -0.189728D+01
                46            47            48            49            50 
      1  -0.393000D+01 -0.305056D+01 -0.614471D+00 -0.138394D+01  0.199772D+01
      2  -0.305056D+01  0.102407D+01  0.842490D+00  0.199772D+01  0.121508D+01
      3  -0.614471D+00  0.842490D+00  0.525208D+00  0.234734D-01 -0.235309D+00
                51            52            53            54            55 
      1   0.234734D-01 -0.213346D+01  0.194078D+00  0.121010D-01  0.378148D+01
      2  -0.235309D+00  0.194078D+00 -0.109820D+01 -0.107746D+00  0.187751D+01
      3  -0.251676D+01  0.121010D-01 -0.107746D+00  0.918689D+01  0.140011D+01
                56            57            58            59            60 
      1   0.187751D+01  0.140011D+01  0.327174D+01 -0.287538D+01 -0.231341D+00
      2  -0.140471D+01 -0.817086D-01 -0.287538D+01  0.658220D+01  0.113730D+01
      3  -0.817086D-01  0.943461D+00 -0.231341D+00  0.113730D+01  0.301957D-01
                61            62            63            64            65 
      1   0.296886D+01 -0.120777D+01 -0.559934D+00  0.451412D+00  0.352683D+00
      2  -0.120777D+01  0.232453D+01  0.137725D+01  0.352683D+00 -0.575805D+00
      3  -0.559934D+00  0.137725D+01  0.559868D-01 -0.909041D+00  0.675711D-01
                66            67            68            69            70 
      1  -0.909041D+00  0.456277D+00 -0.488602D+00  0.780775D-01 -0.184024D+01
      2   0.675711D-01 -0.488602D+00  0.392856D-01 -0.100580D+01  0.179939D+00
      3  -0.563892D-02  0.780775D-01 -0.100580D+01  0.305869D+00 -0.367256D+00
                71            72            73            74            75 
      1   0.179939D+00 -0.367256D+00 -0.769525D+01  0.540971D-01 -0.109971D+01
      2  -0.173878D+01  0.694769D+00  0.540971D-01  0.863788D+00 -0.221508D+00
      3   0.694769D+00 -0.780177D+01 -0.109971D+01 -0.221508D+00  0.825286D+00
                76            77            78            79            80 
      1   0.329255D+01  0.118397D+01  0.195530D+00 -0.305803D+01 -0.642734D+00
      2   0.118397D+01  0.459068D+01 -0.906986D+00 -0.642734D+00 -0.133700D+01
      3   0.195530D+00 -0.906986D+00  0.101752D+01 -0.127868D+01 -0.696112D-01
                81            82            83            84            85 
      1  -0.127868D+01 -0.610681D+00 -0.303122D+00  0.973318D+00 -0.418968D+00
      2  -0.696112D-01 -0.303122D+00  0.449387D+00  0.456584D-02  0.351296D+00
      3  -0.732689D-01  0.973318D+00  0.456584D-02  0.693967D-01  0.358948D-01
                86            87            88            89            90 
      1   0.351296D+00  0.358948D-01  0.182174D+01  0.205094D+00 -0.505406D+00
      2   0.728188D-01  0.107786D+01  0.205094D+00  0.172124D+01 -0.521015D+00
      3   0.107786D+01 -0.631045D+00 -0.505406D+00 -0.521015D+00  0.802021D+01
                91            92            93            94            95 
      1  -0.107350D+00 -0.464586D+00  0.959627D+00 -0.320592D+00  0.576039D+00
      2  -0.464586D+00  0.501617D+00  0.583697D-01  0.576039D+00  0.416719D+00
      3   0.959627D+00  0.583697D-01  0.447296D-01  0.938146D-01  0.100658D+01
                96            97            98            99           100 
      1   0.938146D-01  0.181065D+01 -0.718274D-01  0.348616D+00  0.406978D+01
      2   0.100658D+01 -0.718274D-01  0.179617D+01  0.375384D+00  0.505637D+00
      3   0.201015D-01  0.348616D+00  0.375384D+00  0.786663D+01 -0.909908D+00
               101           102           103           104           105 
      1   0.505637D+00 -0.909908D+00 -0.307062D+00  0.413023D+01  0.668348D-01
      2   0.585298D+01 -0.116189D+00  0.413023D+01  0.223158D+01 -0.901323D+00
      3  -0.116189D+00  0.446262D+00  0.668348D-01 -0.901323D+00 -0.937202D+00
               106           107           108           109           110 
      1  -0.119835D+01 -0.320418D+00  0.843295D+00  0.290083D+01  0.264598D+00
      2  -0.320418D+00 -0.264247D+01  0.100360D+01  0.264598D+00 -0.230543D+01
      3   0.843295D+00  0.100360D+01  0.286002D-01  0.174171D+01  0.421214D+00
               111           112           113           114           115 
      1   0.174171D+01  0.522993D+00 -0.432413D+01  0.508150D-01  0.232898D+01
      2   0.421214D+00 -0.432413D+01 -0.288290D+01  0.128624D+01 -0.227023D+00
      3   0.145071D+01  0.508150D-01  0.128624D+01 -0.692502D+00 -0.737816D+00
               116           117           118           119           120 
      1  -0.227023D+00 -0.737816D+00  0.108709D+01  0.218555D+00 -0.101388D+01
      2   0.155571D+01 -0.159125D+01  0.218555D+00 -0.323753D+00  0.664356D-01
      3  -0.159125D+01 -0.818747D+01 -0.101388D+01  0.664356D-01  0.743459D+00
               121           122           123           124           125 
      1   0.192057D+00 -0.423449D+00 -0.280697D+00 -0.213859D+01 -0.202819D+00
      2  -0.423449D+00 -0.194697D-01 -0.100450D+01 -0.202819D+00 -0.157508D+01
      3  -0.280697D+00 -0.100450D+01  0.146495D+00  0.102225D+01  0.204426D+00
               126           127           128           129           130 
      1   0.102225D+01 -0.106550D+01 -0.144024D+01  0.206930D+00 -0.172225D+01
      2   0.204426D+00 -0.144024D+01 -0.136395D+01  0.233331D+00 -0.153681D+01
      3  -0.782266D+01  0.206930D+00  0.233331D+00 -0.301427D+00 -0.110706D+00
               131           132           133           134           135 
      1  -0.153681D+01 -0.110706D+00 -0.245829D+00 -0.191155D+00 -0.151765D+00
      2  -0.868636D+01 -0.414579D+00 -0.191155D+00 -0.223064D+01  0.112335D+01
      3  -0.414579D+00  0.135966D+01 -0.151765D+00  0.112335D+01 -0.587529D+01
               136           137           138           139           140 
      1   0.180467D+00  0.899681D-01 -0.114998D+01  0.112939D+00 -0.460138D+00
      2   0.899681D-01 -0.260348D+00 -0.193528D+00 -0.460138D+00 -0.103397D+01
      3  -0.114998D+01 -0.193528D+00 -0.166008D+00  0.194602D-01 -0.980552D+00
               141           142           143           144           145 
      1   0.194602D-01 -0.178294D+01 -0.504287D+00 -0.445392D+00 -0.935341D+01
      2  -0.980552D+00 -0.504287D+00 -0.187037D+01 -0.152466D+01  0.197679D+01
      3  -0.259973D+00 -0.445392D+00 -0.152466D+01 -0.817830D+01 -0.511843D+00
               146           147           148           149           150 
      1   0.197679D+01 -0.511843D+00  0.192563D-01 -0.734103D+00  0.196450D-01
      2  -0.211287D+01 -0.797670D-01 -0.734103D+00  0.365660D+00 -0.243106D+00
      3  -0.797670D-01 -0.132027D+01  0.196450D-01 -0.243106D+00  0.167983D+00
               151           152           153           154           155 
      1  -0.163929D+01  0.310603D+00 -0.104938D+01 -0.302234D+01 -0.215734D+01
      2   0.310603D+00 -0.581797D+00  0.407442D+00 -0.215734D+01 -0.240400D+01
      3  -0.104938D+01  0.407442D+00 -0.107080D+00  0.140490D+00  0.138404D-01
               156           157           158           159           160 
      1   0.140490D+00 -0.463761D+01 -0.341193D+01 -0.199929D+00  0.751717D+00
      2   0.138404D-01 -0.341193D+01 -0.602021D+01  0.209537D+00  0.343867D+00
      3  -0.678574D+00 -0.199929D+00  0.209537D+00 -0.108417D+01 -0.837862D+00
               161           162           163           164           165 
      1   0.343867D+00 -0.837862D+00 -0.204633D+01  0.149383D+01  0.229569D+00
      2   0.693110D+00 -0.656728D+00  0.149383D+01 -0.401346D+01  0.717650D-01
      3  -0.656728D+00 -0.221327D-01  0.229569D+00  0.717650D-01 -0.502809D+00
               166           167           168           169           170 
      1   0.184151D+01 -0.147406D+01 -0.100284D+00  0.390394D+00 -0.154805D+00
      2  -0.147406D+01  0.739603D+01  0.135063D+00 -0.154805D+00  0.830772D+00
      3  -0.100284D+00  0.135063D+00  0.113395D+01 -0.143983D+00  0.960513D+00
               171           172           173           174           175 
      1  -0.143983D+00  0.779922D+01 -0.237965D+01 -0.138036D+01 -0.990353D+00
      2   0.960513D+00 -0.237965D+01  0.330944D+01 -0.484608D-01  0.348715D+01
      3  -0.103737D+00 -0.138036D+01 -0.484608D-01  0.249976D+00 -0.941842D-02
               176           177           178           179           180 
      1   0.348715D+01 -0.941842D-02 -0.239982D+01  0.692122D+00  0.169379D+01
      2   0.197170D+01 -0.676383D+00  0.692122D+00 -0.144379D+01 -0.528071D+00
      3  -0.676383D+00  0.103088D+01  0.169379D+01 -0.528071D+00 -0.464238D+00
               181           182           183           184           185 
      1  -0.341984D+00  0.339808D+00  0.106023D+01 -0.289100D+00  0.739587D+00
      2   0.339808D+00  0.253450D+00 -0.100415D+00  0.739587D+00  0.481975D+00
      3   0.106023D+01 -0.100415D+00 -0.281617D+00 -0.794903D-02  0.984789D+00
               186           187           188           189           190 
      1  -0.794903D-02  0.239473D+01 -0.180629D+00  0.139808D+01  0.276822D+01
      2   0.984789D+00 -0.180629D+00  0.150841D+01  0.126953D+01  0.211589D+01
      3  -0.118185D+00  0.139808D+01  0.126953D+01  0.876131D+01 -0.686092D+00
               191           192           193           194           195 
      1   0.211589D+01 -0.686092D+00  0.338516D+01  0.282814D+01 -0.210692D+00
      2   0.219773D+01 -0.215216D+00  0.282814D+01  0.560664D+01 -0.841865D+00
      3  -0.215216D+00  0.604452D+00 -0.210692D+00 -0.841865D+00  0.863054D+00
               196           197           198           199           200 
      1  -0.163185D+01 -0.406338D+00  0.927876D+00 -0.189240D+00 -0.487759D+00
      2  -0.406338D+00 -0.155071D+01  0.106342D+01 -0.487759D+00  0.267879D+00
      3   0.927876D+00  0.106342D+01 -0.144917D+00  0.495930D+00 -0.256994D+00
               201           202           203           204           205 
      1   0.495930D+00 -0.399609D+00 -0.189244D-01  0.480340D-01  0.147548D+01
      2  -0.256994D+00 -0.189244D-01 -0.147696D+01  0.832072D+00  0.383432D+00
      3   0.623801D+00  0.480340D-01  0.832072D+00 -0.900644D+00 -0.171624D+00
               206           207           208           209           210 
      1   0.383432D+00 -0.171624D+00 -0.169969D+01 -0.507229D+00  0.226250D+00
      2   0.352839D+01 -0.295505D+01 -0.507229D+00 -0.159761D+01  0.197970D-02
      3  -0.295505D+01  0.658596D+01  0.226250D+00  0.197970D-02  0.127848D-02
               211           212           213           214           215 
      1  -0.257987D+01  0.197044D+00  0.178922D+00  0.549695D+00  0.733523D-01
      2   0.197044D+00 -0.625274D+01  0.168538D+00  0.733523D-01  0.811596D+00
      3   0.178922D+00  0.168538D+00 -0.131784D+01  0.258415D+00 -0.705128D+00
               216 
      1   0.258415D+00
      2  -0.705128D+00
      3   0.393393D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124949D+01  0.128599D+00 -0.820478D+00 -0.171754D+01  0.746869D+00
      2   0.159978D+01 -0.284154D+00  0.323271D+00 -0.286300D+00  0.241295D+01
      3  -0.367196D+01 -0.177316D+01 -0.116096D+01  0.334924D+01  0.189023D+01
                 6             7             8             9            10 
      1  -0.287119D+00  0.174449D+00  0.413469D+01 -0.807690D+01  0.863686D+00
      2   0.484506D+00 -0.294696D+01  0.280977D+00 -0.910878D+01 -0.192638D+01
      3  -0.207510D+00  0.208661D+00 -0.156559D+01 -0.822259D+00  0.807610D+00
                11            12            13            14            15 
      1  -0.767901D+00 -0.592597D+00  0.379724D+00 -0.167443D+01 -0.601168D+00
      2  -0.128026D+01  0.155537D+01 -0.145599D+00 -0.257430D+01 -0.187345D+01
      3  -0.589992D+01 -0.856505D+00  0.373798D-01 -0.377737D+00  0.210258D+01
                16            17            18            19            20 
      1  -0.932506D+00  0.243557D+01 -0.457770D+01 -0.889406D+00 -0.290145D+00
      2  -0.334401D+01 -0.135065D+01  0.120049D+02 -0.129696D+01  0.290656D+00
      3  -0.147892D+01  0.134495D+01  0.924280D+00  0.185250D+01  0.811475D+00
                21            22            23            24            25 
      1   0.649124D+00 -0.410070D+00 -0.192924D+01 -0.215603D+00  0.135956D+01
      2   0.124675D+01 -0.986282D+00  0.298273D+00 -0.228621D+00 -0.362584D+01
      3   0.128402D+01  0.628266D+01 -0.474912D+01 -0.125782D+01  0.133103D+01
                26            27            28            29            30 
      1   0.263371D+01  0.964653D+01  0.848667D+00 -0.484625D+00  0.159664D+01
      2  -0.576525D-01 -0.200448D+01 -0.182355D+01 -0.709790D+00 -0.795972D+00
      3   0.417344D+00 -0.963696D+00 -0.605702D+01 -0.895772D+01 -0.215747D+00
                31            32            33            34            35 
      1  -0.123101D+01  0.108205D+01  0.227878D+01  0.176459D+01  0.325451D+01
      2  -0.776869D+00 -0.162141D+01 -0.238798D+01 -0.501440D+01  0.206139D+01
      3  -0.699723D+01 -0.272500D+01  0.227541D+01 -0.358909D+00  0.124107D+01
                36            37            38            39            40 
      1  -0.377650D+01  0.110207D+01  0.514216D+00 -0.333538D+01  0.906775D+00
      2   0.160969D+02  0.733663D+00  0.460172D+00  0.922498D+01  0.247109D+00
      3  -0.419777D+00 -0.903138D+01 -0.711027D+01 -0.104060D+01  0.120881D+02
                41            42            43            44            45 
      1   0.695618D+00 -0.638157D+01  0.266670D+01  0.475622D+01 -0.643953D+00
      2   0.138083D+01  0.248945D+01 -0.539302D+01 -0.261568D+01  0.434499D+00
      3   0.557575D+01 -0.102285D+01 -0.379820D+01 -0.223001D+01 -0.338021D+00
                46            47            48            49            50 
      1  -0.826321D+00  0.893274D-01  0.251766D+01 -0.349948D+00 -0.939442D+00
      2   0.113893D+01  0.238620D+00 -0.585984D+01 -0.601939D+00  0.142986D+01
      3   0.327905D+01  0.569916D+01  0.132415D+01  0.328653D+01  0.125374D+01
                51            52            53            54            55 
      1  -0.173506D+01 -0.162558D+01  0.246279D+01  0.142594D+02 -0.305058D+01
      2   0.327450D+00 -0.442741D+01 -0.170668D+01 -0.958525D+01 -0.665313D+01
      3  -0.142176D+01  0.302908D+01 -0.148006D+01  0.427203D-01  0.156993D+02
                56            57            58            59            60 
      1   0.989852D-01  0.454365D+00  0.154760D+01 -0.215270D+01 -0.549104D+01
      2   0.198821D+01  0.146443D+01  0.451474D+00 -0.199265D+01 -0.264554D+01
      3  -0.213633D+01  0.242510D+01  0.820992D+01  0.907088D+01  0.967611D+00
                61            62            63            64            65 
      1   0.301469D+00  0.120152D+01 -0.194874D+01  0.684667D+00 -0.131426D+00
      2  -0.410942D+01 -0.141421D+01 -0.196804D+01  0.160921D+01 -0.350827D+00
      3   0.547766D+01  0.362569D+01  0.147329D+01  0.869822D+00 -0.133824D+01
                66            67            68            69            70 
      1  -0.566784D+00 -0.191764D+00  0.140113D+01 -0.815032D+00 -0.141159D+00
      2   0.901386D+00 -0.100947D+00  0.740609D+00  0.339024D+00 -0.395362D+01
      3  -0.603100D+00  0.105884D+01 -0.490052D+00 -0.907393D+00 -0.206333D+01
                71            72            73            74            75 
      1   0.380451D+01  0.765156D+01 -0.174149D+01 -0.830517D+00 -0.106588D+00
      2  -0.335323D+00  0.877955D+01  0.371044D+01  0.194268D+01  0.588573D+01
      3  -0.186198D+01  0.611364D+00  0.787598D+01 -0.331413D+01  0.234374D+00
                76            77            78            79            80 
      1  -0.264574D+01 -0.290132D+01 -0.819491D+00  0.681729D+00  0.403653D+01
      2   0.962881D+00  0.345065D+01 -0.230979D+01 -0.438208D+00 -0.452894D+00
      3   0.489313D+01  0.195232D+02 -0.208280D+01  0.142364D+01 -0.523605D+01
                81            82            83            84            85 
      1  -0.652104D+00  0.354786D+00  0.428180D+00  0.577622D+00  0.691891D+00
      2   0.224003D+01 -0.192897D+01 -0.355147D-01  0.399621D+00  0.272780D+00
      3   0.620380D+00 -0.828030D-01 -0.173322D+00 -0.248787D+00  0.177040D+01
                86            87            88            89            90 
      1   0.731015D+00 -0.192463D+01  0.169969D+00  0.429019D+01  0.286338D+01
      2  -0.161519D+01  0.406260D+00 -0.362405D+01  0.604348D+00 -0.122919D+02
      3   0.336682D+00  0.108824D+01 -0.606947D+00  0.280619D+01 -0.938172D-01
                91            92            93            94            95 
      1  -0.161137D+01  0.651313D-01  0.277522D+00 -0.206446D+00 -0.140781D+01
      2   0.252233D+00  0.795398D+00  0.786760D+00  0.703679D+00  0.232850D+00
      3   0.113412D+00 -0.173031D+01  0.108356D+01  0.498066D+00  0.508401D+00
                96            97            98            99           100 
      1  -0.540991D+00 -0.484530D+00  0.384020D+01 -0.983801D+01  0.233546D+01
      2  -0.386583D+00 -0.482132D+01  0.109788D+00  0.177784D+01  0.201931D+00
      3  -0.112179D+00  0.252316D+01 -0.910435D+00  0.323858D+00  0.141740D+02
               101           102           103           104           105 
      1  -0.921893D+00 -0.360197D+01 -0.539724D+00  0.472949D+01 -0.389674D+01
      2  -0.157815D+01  0.323427D+01  0.454479D+00  0.599956D+00  0.159288D+01
      3  -0.110875D+02 -0.173460D+01 -0.924680D+00  0.962516D+01  0.110516D+01
               106           107           108           109           110 
      1  -0.227998D+01  0.225334D+01  0.194527D+01 -0.190755D+01 -0.120726D+01
      2  -0.221330D+01  0.102622D+01 -0.467737D+00  0.393659D+01  0.146454D+01
      3  -0.450567D+01  0.143635D+01  0.114674D+01  0.346753D+01  0.620047D+01
               111           112           113           114           115 
      1  -0.257420D+01 -0.259351D+01 -0.325339D+01  0.738571D+00  0.119935D+00
      2   0.275058D+01  0.185269D+01  0.507461D+01  0.586620D-01 -0.677236D+01
      3  -0.728940D+00  0.160426D+02  0.512227D+01 -0.383424D+01  0.102312D+01
               116           117           118           119           120 
      1   0.212843D+01  0.532923D+01  0.320040D+00  0.490556D+00  0.423938D+00
      2  -0.422338D+01 -0.217497D+02 -0.116347D+01  0.280994D+00  0.218157D+01
      3  -0.506458D+01  0.426501D+01 -0.102576D+00  0.264592D+00 -0.507617D+00
               121           122           123           124           125 
      1   0.239301D+00  0.675800D-01 -0.768778D+00 -0.816609D-01  0.401160D+01
      2  -0.436894D+00 -0.165303D+01  0.255933D+00 -0.366048D+01 -0.153831D-01
      3   0.270765D+01 -0.709053D+00  0.153100D+01 -0.231666D+00  0.292735D+01
               126           127           128           129           130 
      1   0.250911D+01  0.131105D+00  0.166341D-01 -0.195675D+01 -0.330861D-01
      2  -0.116717D+02  0.110002D+00 -0.185090D+01  0.513646D+01  0.471987D+00
      3  -0.111895D+01  0.296534D+01 -0.224719D+01  0.826117D+00  0.997379D+01
               131           132           133           134           135 
      1  -0.180280D+00 -0.371361D+01  0.488664D+00  0.658614D+01 -0.185115D+02
      2   0.153480D+00 -0.140877D+00  0.279799D+00 -0.950745D+00  0.499198D+01
      3  -0.442046D+01 -0.155853D-01  0.609807D+00 -0.558468D+00  0.195305D+01
               136           137           138           139           140 
      1  -0.205666D+01 -0.209129D+00 -0.536506D+00  0.333547D+00 -0.116013D+01
      2   0.980752D+00  0.252998D+00  0.102733D+01  0.703411D+00  0.711431D+00
      3  -0.846317D-01 -0.179727D+01  0.198690D+01  0.284757D+00  0.373086D+00
               141           142           143           144           145 
      1  -0.983304D+00 -0.110764D+00  0.270804D+01 -0.124086D+02  0.177028D+01
      2   0.303843D-02 -0.413472D+01  0.859150D+00  0.728771D+01  0.527611D+01
      3  -0.547479D+00  0.337634D+01 -0.410700D+00  0.562926D+00 -0.193709D+02
               146           147           148           149           150 
      1   0.162357D-01  0.260579D+01 -0.192837D-02  0.621699D+00 -0.531009D-01
      2  -0.678571D+00  0.473827D+01  0.119366D+00  0.555578D+00 -0.128726D+00
      3  -0.318142D+01 -0.182401D+01 -0.178776D+01 -0.257870D+01 -0.689935D+00
               151           152           153           154           155 
      1   0.196969D+01  0.152843D+00  0.231596D+00  0.108650D+01  0.112957D+01
      2   0.232528D+01 -0.979914D+00  0.738913D+00 -0.999873D+00 -0.766319D+00
      3  -0.411495D+01 -0.130888D+01 -0.125533D+01 -0.492333D+01 -0.622159D+01
               156           157           158           159           160 
      1  -0.117377D+01  0.184439D+01  0.290043D+01 -0.237266D+01 -0.116500D+01
      2   0.200517D+01 -0.944114D+00 -0.229920D+01  0.388190D+01  0.111920D+01
      3  -0.172269D+00 -0.471402D+01 -0.205803D+02  0.116435D+01 -0.641804D-01
               161           162           163           164           165 
      1  -0.175613D-01  0.429799D+00 -0.146206D+01  0.130486D+01  0.241052D+01
      2   0.197157D+01  0.116929D+00 -0.322544D+00  0.758682D+00 -0.973128D-01
      3   0.287215D+01 -0.984023D+00 -0.112328D+02  0.804457D+01  0.109281D+01
               166           167           168           169           170 
      1   0.114080D+01 -0.230974D+01 -0.402842D+01  0.608652D+00 -0.178933D+01
      2   0.399831D+00 -0.100565D+01 -0.242601D+00 -0.105834D+01  0.162208D+00
      3   0.922677D+01 -0.117424D+02 -0.550560D+00  0.220488D+01 -0.137549D+01
               171           172           173           174           175 
      1  -0.371496D-01 -0.410838D+00 -0.565848D+00  0.361087D+01  0.426338D+00
      2  -0.279501D+00 -0.464687D+01  0.114784D+01  0.669022D+01 -0.130355D+01
      3  -0.951774D+00  0.164196D+01 -0.190708D+02 -0.923288D-01 -0.108512D+02
               176           177           178           179           180 
      1  -0.263285D+01 -0.337955D+01 -0.231696D+00  0.432390D+01 -0.196959D+01
      2  -0.232972D+01 -0.221647D-01  0.242191D+01 -0.168073D+01 -0.262696D+01
      3  -0.100063D+02  0.256921D+01  0.272032D+00  0.589006D+01  0.152300D+01
               181           182           183           184           185 
      1  -0.289272D+00 -0.565157D-01 -0.322052D-01  0.327280D+00 -0.257147D+00
      2   0.406192D+01 -0.769953D+00 -0.384977D+00 -0.193616D+00  0.255366D+01
      3  -0.135121D+01 -0.120463D+01  0.736109D+00 -0.952294D+00 -0.986752D+00
               186           187           188           189           190 
      1  -0.116646D+00 -0.110204D+01  0.363409D+01 -0.421654D+01  0.148774D+01
      2  -0.300802D+00 -0.148842D+01  0.407018D+01  0.240022D+02 -0.251034D+01
      3  -0.240835D+01  0.167679D+01 -0.436485D+01 -0.338090D+01 -0.427433D+01
               191           192           193           194           195 
      1   0.816830D+00 -0.134973D+01  0.116929D+01  0.230589D+01 -0.269022D+01
      2  -0.110783D+01  0.282248D+01 -0.115454D+01 -0.350851D+01  0.337784D+01
      3  -0.636806D+01  0.259892D+00 -0.363052D+01 -0.168527D+02  0.263247D+01
               196           197           198           199           200 
      1  -0.964222D+00 -0.127274D+00  0.477431D+00  0.156810D+01 -0.402581D+00
      2   0.177996D+01  0.318696D+01 -0.736216D+00 -0.120199D+01 -0.256679D+00
      3  -0.284130D+00  0.493161D+01 -0.256171D+01 -0.667782D+00  0.607921D+00
               201           202           203           204           205 
      1   0.218939D+01  0.188033D+00  0.313220D+01 -0.287866D+01 -0.608832D+00
      2  -0.728798D+00 -0.650127D+00 -0.121379D+01  0.101094D+01 -0.277480D+01
      3  -0.147407D+01  0.100473D+01 -0.129285D+01  0.688807D+00 -0.411054D+01
               206           207           208           209           210 
      1  -0.645365D+01  0.208516D+02  0.442950D+00  0.768722D+00 -0.666492D+00
      2   0.277923D+01 -0.592315D+01  0.103584D+01 -0.144971D+00 -0.850465D+00
      3   0.212681D+01 -0.264003D+01  0.736697D+01  0.818651D+01 -0.401117D+00
               211           212           213           214           215 
      1   0.552473D+00  0.257765D+01 -0.298124D+01  0.159959D+00 -0.463848D+00
      2   0.941104D+00  0.218716D+00 -0.356075D+01 -0.816058D+00 -0.206725D+01
      3   0.583368D+01  0.249705D+02 -0.895988D+00 -0.153874D+01 -0.325248D+01
               216 
      1   0.269928D+00
      2  -0.228533D+00
      3   0.208368D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.728591D+01 -0.127487D+01  0.218542D+00  0.559711D+01 -0.106695D+01
      2  -0.661860D+01  0.973643D+01 -0.975036D+00  0.157274D+01 -0.564916D+01
      3  -0.667316D+00 -0.846156D+01  0.756493D+00 -0.716985D+01  0.671611D+01
      4   0.713528D+01 -0.121176D+02 -0.137254D+01 -0.160307D+02  0.861817D+01
      5   0.328210D+01 -0.171391D+01 -0.217643D+01 -0.369716D+01  0.151125D+01
      6  -0.111636D+01  0.291058D+01  0.247733D+01  0.316810D+01 -0.313661D+01
                 6             7             8             9            10 
      1   0.344130D+00  0.369192D+01  0.712530D+00  0.708744D+01 -0.194891D+02
      2   0.807984D-01  0.114510D+01 -0.568244D+01  0.513595D+01  0.962144D+01
      3  -0.424929D+00 -0.483702D+01  0.496991D+01 -0.122234D+02  0.986763D+01
      4   0.221188D+01 -0.395843D+01  0.743591D+01  0.106652D+01 -0.639950D+01
      5   0.204989D+01  0.154159D+01  0.223797D+01 -0.216410D+02 -0.671545D+01
      6  -0.463008D+01  0.113107D+01  0.224190D+00  0.191663D+02 -0.114148D+01
                11            12            13            14            15 
      1  -0.708864D+01 -0.134603D+01 -0.932784D+01  0.670194D+01  0.107256D+01
      2   0.311607D+01  0.399941D+01  0.589026D+01 -0.214171D+01 -0.390292D+00
      3   0.397257D+01 -0.265339D+01  0.343758D+01 -0.456024D+01 -0.682265D+00
      4  -0.205963D+01 -0.671782D+00  0.643354D+01  0.236903D+01 -0.542714D+00
      5  -0.141069D+01 -0.743765D+00 -0.195005D+00  0.719962D-02 -0.433452D+01
      6  -0.215907D+01  0.111077D+01 -0.604350D+00 -0.909872D+00 -0.933005D+00
                16            17            18            19            20 
      1  -0.119360D+02 -0.257764D+01  0.888239D+01 -0.967413D+01  0.748257D+01
      2   0.602735D+01 -0.241384D+00  0.517435D+01  0.684501D+01 -0.125146D+02
      3   0.590870D+01  0.281903D+01 -0.140567D+02  0.282913D+01  0.503201D+01
      4  -0.129207D+01 -0.948936D+00 -0.159885D+01  0.152535D+01 -0.303525D+01
      5   0.589922D+00 -0.232301D+01  0.302255D+02  0.172169D+01  0.127991D+01
      6   0.133724D+00 -0.191402D+00  0.122575D+02  0.762783D+00  0.167156D+01
                21            22            23            24            25 
      1  -0.107291D+01  0.468726D+01  0.403784D+01 -0.321893D+01 -0.184232D+01
      2  -0.116932D+01 -0.100916D+02 -0.100505D+02  0.559652D+00  0.399058D+01
      3   0.224222D+01  0.540432D+01  0.601267D+01  0.265927D+01 -0.214826D+01
      4   0.903683D+00 -0.479880D+01 -0.103974D+02 -0.238621D+00  0.281090D+01
      5  -0.151444D+01  0.181062D+01  0.123516D+01 -0.741994D+00  0.101778D+01
      6  -0.147932D+01 -0.298885D+00  0.455551D+01 -0.320343D+01 -0.140946D+01
                26            27            28            29            30 
      1  -0.356928D+01  0.485832D+01 -0.101271D+02 -0.131935D+01 -0.347204D+01
      2   0.812755D+01  0.910184D+01  0.384268D+01  0.797505D+00  0.242170D+01
      3  -0.455826D+01 -0.139602D+02  0.628441D+01  0.521846D+00  0.105034D+01
      4   0.266077D+01 -0.145873D+00 -0.662746D+01 -0.990448D+00 -0.221019D+01
      5   0.799150D-01 -0.481178D+01 -0.543703D+01 -0.139300D+01 -0.585154D+01
      6   0.235612D+01 -0.236990D+02 -0.257187D+01 -0.725772D-01 -0.273580D+01
                31            32            33            34            35 
      1   0.143035D+01  0.152244D+02  0.100479D+00 -0.330504D+01  0.839608D-01
      2   0.156127D+00 -0.157241D+02 -0.186025D+01 -0.797600D+00 -0.253867D+01
      3  -0.158648D+01  0.499658D+00  0.175977D+01  0.410264D+01  0.245471D+01
      4  -0.484100D+01  0.328629D+00 -0.196773D+01  0.729191D+00 -0.838586D+00
      5   0.188655D+01 -0.155449D+01 -0.617442D+01 -0.160464D+01  0.793484D+00
      6   0.102754D+00  0.117713D+01 -0.556361D+01 -0.155499D+01  0.497935D+00
                36            37            38            39            40 
      1   0.591033D+01  0.166296D+02 -0.341937D+01 -0.959629D+00 -0.149110D+01
      2   0.636769D+01 -0.109837D+02  0.334385D+01 -0.153623D+01  0.902121D+00
      3  -0.122780D+02 -0.564594D+01  0.755259D-01  0.249586D+01  0.588980D+00
      4   0.138591D+01 -0.762109D+01  0.111321D+02 -0.140745D+01  0.119895D+02
      5   0.293031D+02  0.202550D+01 -0.233230D-01  0.145118D+02 -0.153472D+01
      6   0.406926D+01 -0.702740D+00  0.207750D+01  0.672938D+01 -0.450567D-01
                41            42            43            44            45 
      1  -0.114640D+02  0.306240D+01  0.518104D+01  0.323735D+01 -0.328365D+01
      2   0.163865D+02 -0.442773D+00 -0.530836D+01 -0.324229D+01 -0.332145D+01
      3  -0.492254D+01 -0.261963D+01  0.127319D+00  0.494221D-02  0.660510D+01
      4  -0.608349D+00  0.108255D+01 -0.399998D+01  0.146570D+01 -0.236412D+01
      5   0.453883D+00  0.593962D+01  0.541698D+01 -0.242584D+00  0.579968D+00
      6  -0.328477D+01  0.915002D+01 -0.522971D+00  0.467245D+01  0.200437D+01
                46            47            48            49            50 
      1  -0.168977D+02  0.915147D+01  0.455166D+01 -0.220670D+01  0.716064D+01
      2   0.153820D+02 -0.103691D+02 -0.104391D+01 -0.282192D+01 -0.191578D+02
      3   0.151577D+01  0.121763D+01 -0.350775D+01  0.502863D+01  0.119972D+02
      4   0.470041D+01 -0.582617D+01  0.369884D+00 -0.101296D+02 -0.101995D+02
      5  -0.148865D+00 -0.244852D+00 -0.109278D+02  0.153402D+01  0.589139D+00
      6  -0.175685D+00 -0.283527D+01 -0.600624D+01  0.796882D+00  0.163353D+01
                51            52            53            54            55 
      1  -0.395184D+00  0.194316D+01  0.161076D+00  0.626237D+01 -0.237748D+02
      2   0.478437D+00  0.653175D+00  0.722498D+01  0.851716D+01  0.173082D+02
      3  -0.832527D-01 -0.259633D+01 -0.738606D+01 -0.147795D+02  0.646653D+01
      4   0.138796D+01  0.287156D+01 -0.124581D+00  0.910551D+00  0.666829D+01
      5   0.106177D+01 -0.168323D+01 -0.127590D+01 -0.161549D+02 -0.693048D+01
      6  -0.146612D+01 -0.607013D+00  0.359870D-01 -0.324115D+02  0.699124D+01
                56            57            58            59            60 
      1  -0.210623D+00 -0.511564D+01 -0.594665D+01 -0.891238D+01 -0.370349D+01
      2  -0.489633D+01  0.369823D+01 -0.383606D+01  0.253798D+02  0.227770D+01
      3   0.510695D+01  0.141741D+01  0.978271D+01 -0.164674D+02  0.142578D+01
      4   0.160175D+02  0.499355D+01  0.254085D+02 -0.318126D+02 -0.500260D+01
      5   0.193669D+01  0.461785D+01  0.256554D+01 -0.512789D+01 -0.462323D+01
      6  -0.202869D+01 -0.872750D+00 -0.281751D+01  0.711576D+01  0.100638D+02
                61            62            63            64            65 
      1  -0.942640D+01 -0.240253D+01 -0.447543D+01 -0.494137D+00 -0.504793D+00
      2   0.322439D+01  0.693027D+01  0.136161D+01 -0.222465D+01 -0.547521D+00
      3   0.620201D+01 -0.452773D+01  0.311382D+01  0.271879D+01  0.105231D+01
      4   0.134877D+02 -0.117775D+02 -0.610067D+01 -0.571993D+00  0.341987D+01
      5   0.619165D+01 -0.704776D+01 -0.417214D+01  0.282243D+01 -0.728387D+00
      6  -0.389268D+01  0.104032D+02  0.427047D+01 -0.209982D+01 -0.442113D+00
                66            67            68            69            70 
      1   0.282493D+01 -0.241055D+00 -0.272331D+01  0.194051D+01  0.323584D+01
      2  -0.142657D+01 -0.773950D+00  0.654085D+00 -0.267806D+01 -0.228984D+01
      3  -0.139836D+01  0.101500D+01  0.206923D+01  0.737555D+00 -0.945995D+00
      4  -0.228592D+01  0.315267D+01 -0.112870D+01  0.258922D+01 -0.384427D+01
      5   0.637738D+01  0.151799D+00  0.232949D+01  0.390364D-01  0.456835D+01
      6   0.831800D+00  0.474874D+00 -0.316694D+01  0.702290D+01 -0.122791D+01
                71            72            73            74            75 
      1   0.298767D+01 -0.148901D+02  0.532125D+02 -0.282548D+00  0.426624D+01
      2  -0.258025D+01 -0.136282D+02 -0.336700D+02 -0.170781D+01 -0.552179D+01
      3  -0.407416D+00  0.285184D+02 -0.195425D+02  0.199036D+01  0.125555D+01
      4   0.425211D+01 -0.129078D+01  0.273931D+01  0.121571D+01  0.199919D+01
      5  -0.178980D+01  0.197988D+02  0.979139D+01  0.187346D+01  0.100141D+02
      6   0.503808D+01 -0.186047D+02  0.131512D+01  0.117115D+01 -0.249381D+00
                76            77            78            79            80 
      1  -0.148984D+02 -0.543509D+01 -0.146244D+01  0.162268D+02  0.241507D+01
      2   0.538549D+01 -0.146772D+01  0.188727D+01 -0.105002D+02  0.391405D+00
      3   0.951289D+01  0.690282D+01 -0.424837D+00 -0.572658D+01 -0.280648D+01
      4  -0.102530D+02 -0.277724D+02  0.415481D+01  0.575140D+01  0.771152D+01
      5  -0.181880D+00  0.518644D+01 -0.360658D+01  0.138278D+02  0.732679D+00
      6  -0.341254D+00  0.574548D+00  0.248724D+01  0.187606D+01  0.281373D+01
                81            82            83            84            85 
      1   0.512658D+01  0.217035D+01  0.126410D+01 -0.461470D+01  0.133545D+01
      2  -0.776314D+01 -0.382751D+01 -0.811680D+00  0.230570D+01 -0.746967D+00
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                86            87            88            89            90 
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      6  -0.183726D+01  0.857520D+01  0.382739D+00  0.498419D+01 -0.866728D+01
                91            92            93            94            95 
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                96            97            98            99           100 
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               101           102           103           104           105 
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               111           112           113           114           115 
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               116           117           118           119           120 
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      6  -0.651574D+00 -0.340110D+01 -0.214683D+00 -0.257866D-01 -0.456585D+00
               121           122           123           124           125 
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      6  -0.739908D+00 -0.374787D+00  0.737149D+01  0.853765D+00  0.413190D+01
               126           127           128           129           130 
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      6  -0.256438D+01 -0.736983D+00 -0.200586D+01  0.388140D+01 -0.168318D+00
               131           132           133           134           135 
      1  -0.312652D+02 -0.985785D+00 -0.181276D+00 -0.767396D+01  0.731177D+01
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      6  -0.333282D-01  0.495566D+01  0.172225D+01 -0.183514D+01  0.310739D+02
               136           137           138           139           140 
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      6   0.416461D+01  0.257137D+00  0.895932D+00  0.128047D+00  0.396972D+01
               141           142           143           144           145 
      1  -0.191831D+01  0.499516D+00 -0.707763D+01 -0.182584D+02  0.453031D+02
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      6   0.741018D+01  0.187649D+01  0.951323D+01  0.286436D+02 -0.337459D+01
               146           147           148           149           150 
      1  -0.481535D+01  0.402708D+01  0.238060D+01  0.184442D+01  0.618151D+00
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      6  -0.350568D+00 -0.464261D+01 -0.755642D-01 -0.762109D+00  0.304743D+00
               151           152           153           154           155 
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      6  -0.398647D+01  0.252847D+01 -0.410504D+00  0.111946D+00  0.716977D+00
               156           157           158           159           160 
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      6   0.144473D+01  0.133886D+01  0.118092D+01  0.287908D+01  0.246617D+01
               161           162           163           164           165 
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      6   0.354385D+01 -0.471178D+00  0.131805D+01  0.916645D-01 -0.314475D+01
               166           167           168           169           170 
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      6  -0.464820D+00  0.851931D+00  0.601806D+01 -0.155181D+01  0.726472D+01
               171           172           173           174           175 
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      4  -0.854727D+00 -0.243439D+02  0.286390D+02  0.840157D+00  0.295332D+02
      5  -0.499147D+00 -0.105971D+02  0.191645D+00  0.131065D+02  0.104380D+01
      6   0.875825D-01  0.946590D+00 -0.770064D+00 -0.456001D+01 -0.453557D+00
               176           177           178           179           180 
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      6   0.255058D+01  0.720683D+01 -0.381290D+01  0.463262D+01  0.343063D+01
               181           182           183           184           185 
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      3   0.305029D+01 -0.103567D+01 -0.415915D+01  0.240388D+00  0.117588D+01
      4   0.150661D+01  0.324359D+01  0.164820D-01  0.557263D+01  0.294670D+01
      5   0.649792D+01  0.175854D-01  0.464987D+01  0.208312D-01  0.502556D+01
      6  -0.552858D-01 -0.600021D+00 -0.233182D+00  0.714323D+00  0.985591D+00
               186           187           188           189           190 
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      6   0.597247D+01  0.965012D+00  0.542518D+01  0.452589D+01 -0.100914D+01
               191           192           193           194           195 
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      5  -0.147206D+01  0.500416D+01 -0.139733D+01 -0.488798D+01  0.569511D+01
      6  -0.389797D+00  0.156166D+01 -0.348172D+00 -0.166096D+01  0.331496D+01
               196           197           198           199           200 
      1  -0.865564D+01 -0.163171D+01  0.197595D+01 -0.138150D+01  0.272380D+01
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      5   0.715083D+01  0.708107D+01 -0.153282D+01 -0.495518D+00 -0.106218D+01
      6   0.224502D+01  0.398312D+01 -0.186771D+01 -0.286047D+01  0.164373D+01
               201           202           203           204           205 
      1  -0.245793D+01  0.745917D+00 -0.569715D+01  0.286233D+01 -0.185341D+01
      2   0.130527D+01 -0.460552D+00  0.820325D+01 -0.537144D+01 -0.197455D-02
      3   0.115266D+01 -0.285365D+00 -0.250610D+01  0.250911D+01  0.185538D+01
      4  -0.309735D+01  0.247197D+01  0.135332D+01 -0.131150D+01 -0.647507D+01
      5   0.120425D+01 -0.415222D+00 -0.118320D+01  0.143201D+01  0.250869D+01
      6  -0.390748D+01 -0.364207D+00 -0.597935D+01  0.672415D+01  0.630090D+00
               206           207           208           209           210 
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      2  -0.143060D+02  0.560089D+01  0.608516D+01  0.762664D+01 -0.800784D+00
      3   0.993650D+00  0.110414D+02  0.252279D+01  0.286113D+00 -0.695011D+00
      4  -0.553727D+01  0.309747D+01 -0.132505D+00 -0.833851D+01 -0.229066D+00
      5   0.447169D+01 -0.104294D+02  0.152483D+01  0.542046D+00 -0.183475D+01
      6   0.187443D+02 -0.366868D+02 -0.658075D+00 -0.305975D+00  0.177159D+00
               211           212           213           214           215 
      1  -0.159340D+02 -0.145690D+02  0.155457D+01  0.295725D+01  0.211728D+01
      2   0.889417D+01  0.228010D+02 -0.208729D+01 -0.180228D+01 -0.247037D+01
      3   0.703988D+01 -0.823204D+01  0.532718D+00 -0.115497D+01  0.353094D+00
      4   0.500292D+01 -0.349595D+02  0.117403D+01 -0.256346D+00  0.440548D+01
      5   0.155738D+01  0.223985D+01 -0.733913D+01  0.245051D+01 -0.405875D+01
      6   0.598660D-01 -0.121479D+01  0.338500D+01 -0.821884D-01  0.431489D+01
               216 
      1  -0.179845D+01
      2   0.761742D+00
      3   0.103671D+01
      4  -0.346487D+01
      5  -0.489887D+00
      6  -0.424413D+00
 Leave Link  716 at Thu Aug 12 23:15:28 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113383D+03  0.147698D+01  0.344018D+00
      2   0.147698D+01  0.107592D+03 -0.386199D+00
      3   0.344018D+00 -0.386199D+00  0.873146D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.229910D+00 -0.396412D+01 -0.196493D+01
      2  -0.289901D+01  0.190922D+01  0.657563D+01
      3   0.119897D+02 -0.123703D+02 -0.336089D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.292895D+02 -0.175461D+02 -0.982224D+01
      2  -0.259373D+02  0.191914D+02  0.420351D+01
      3  -0.335215D+01 -0.164529D+01  0.561873D+01
      4  -0.229227D+01 -0.111585D+02  0.185932D+01
      5  -0.239230D+01  0.240457D+01  0.107243D+02
      6  -0.381785D+01  0.783293D+01  0.186988D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.250061D+01 -0.243052D+01 -0.973768D+00 -0.265733D+01  0.260528D+01
      2  -0.243052D+01  0.313415D+01  0.229523D+00  0.260528D+01  0.285757D+00
      3  -0.973768D+00  0.229523D+00 -0.931731D+00  0.340257D+00 -0.931397D+00
                 6             7             8             9            10 
      1   0.340257D+00 -0.142262D+01  0.684048D+00 -0.145593D+00  0.333796D+01
      2  -0.931397D+00  0.684048D+00 -0.159920D+01 -0.572455D+00  0.183159D+01
      3   0.647241D+00 -0.145593D+00 -0.572455D+00  0.895779D+01  0.126404D+01
                11            12            13            14            15 
      1   0.183159D+01  0.126404D+01  0.179242D+01 -0.239852D+01 -0.235151D+00
      2  -0.167610D+01  0.163234D-01 -0.239852D+01 -0.134198D+01  0.522502D+00
      3   0.163234D-01 -0.193026D+01 -0.235151D+00  0.522502D+00  0.617483D+00
                16            17            18            19            20 
      1   0.241851D+01 -0.160860D+00 -0.651850D-01  0.200285D+01  0.233297D+01
      2  -0.160860D+00  0.551637D+00  0.518344D+00  0.233297D+01 -0.263954D+01
      3  -0.651850D-01  0.518344D+00 -0.926925D+01  0.796754D+00  0.165038D+00
                21            22            23            24            25 
      1   0.796754D+00  0.172001D+01 -0.347576D+01 -0.160534D-01  0.117902D+01
      2   0.165038D+00 -0.347576D+01 -0.171906D+01  0.104239D+01  0.448251D+00
      3   0.419553D+00 -0.160534D-01  0.104239D+01  0.133504D+01 -0.272921D+00
                26            27            28            29            30 
      1   0.448251D+00 -0.272921D+00 -0.209219D+01 -0.629432D-02 -0.994545D+00
      2   0.213322D+01  0.511350D+00 -0.629432D-02  0.308135D+01 -0.352220D+00
      3   0.511350D+00 -0.875946D+01 -0.994545D+00 -0.352220D+00 -0.521445D+00
                31            32            33            34            35 
      1   0.685289D+00  0.432768D+01  0.497349D+00 -0.152027D+01  0.162995D+00
      2   0.432768D+01  0.232259D+01 -0.101137D+01  0.162995D+00 -0.151218D+01
      3   0.497349D+00 -0.101137D+01 -0.827286D+00 -0.172657D+00  0.150898D+00
                36            37            38            39            40 
      1  -0.172657D+00  0.627526D+01 -0.226633D+00  0.748644D+00 -0.158549D+01
      2   0.150898D+00 -0.226633D+00 -0.258271D+00 -0.526441D+00 -0.802333D+00
      3   0.920412D+01  0.748644D+00 -0.526441D+00 -0.307792D+00 -0.245887D+00
                41            42            43            44            45 
      1  -0.802333D+00 -0.245887D+00  0.292150D+01  0.592887D+00  0.401028D+00
      2  -0.414507D+01  0.750297D+00  0.592887D+00  0.172543D+01 -0.428556D+00
      3   0.750297D+00  0.610134D+00  0.401028D+00 -0.428556D+00 -0.189728D+01
                46            47            48            49            50 
      1  -0.393000D+01 -0.305056D+01 -0.614471D+00 -0.138394D+01  0.199772D+01
      2  -0.305056D+01  0.102407D+01  0.842490D+00  0.199772D+01  0.121508D+01
      3  -0.614471D+00  0.842490D+00  0.525208D+00  0.234734D-01 -0.235309D+00
                51            52            53            54            55 
      1   0.234734D-01 -0.213346D+01  0.194078D+00  0.121010D-01  0.378148D+01
      2  -0.235309D+00  0.194078D+00 -0.109820D+01 -0.107746D+00  0.187751D+01
      3  -0.251676D+01  0.121010D-01 -0.107746D+00  0.918689D+01  0.140011D+01
                56            57            58            59            60 
      1   0.187751D+01  0.140011D+01  0.327174D+01 -0.287538D+01 -0.231341D+00
      2  -0.140471D+01 -0.817086D-01 -0.287538D+01  0.658220D+01  0.113730D+01
      3  -0.817086D-01  0.943461D+00 -0.231341D+00  0.113730D+01  0.301957D-01
                61            62            63            64            65 
      1   0.296886D+01 -0.120777D+01 -0.559934D+00  0.451412D+00  0.352683D+00
      2  -0.120777D+01  0.232453D+01  0.137725D+01  0.352683D+00 -0.575805D+00
      3  -0.559934D+00  0.137725D+01  0.559868D-01 -0.909041D+00  0.675711D-01
                66            67            68            69            70 
      1  -0.909041D+00  0.456277D+00 -0.488602D+00  0.780775D-01 -0.184024D+01
      2   0.675711D-01 -0.488602D+00  0.392856D-01 -0.100580D+01  0.179939D+00
      3  -0.563892D-02  0.780775D-01 -0.100580D+01  0.305869D+00 -0.367256D+00
                71            72            73            74            75 
      1   0.179939D+00 -0.367256D+00 -0.769525D+01  0.540971D-01 -0.109971D+01
      2  -0.173878D+01  0.694769D+00  0.540971D-01  0.863788D+00 -0.221508D+00
      3   0.694769D+00 -0.780177D+01 -0.109971D+01 -0.221508D+00  0.825286D+00
                76            77            78            79            80 
      1   0.329255D+01  0.118397D+01  0.195530D+00 -0.305803D+01 -0.642734D+00
      2   0.118397D+01  0.459068D+01 -0.906986D+00 -0.642734D+00 -0.133700D+01
      3   0.195530D+00 -0.906986D+00  0.101752D+01 -0.127868D+01 -0.696112D-01
                81            82            83            84            85 
      1  -0.127868D+01 -0.610681D+00 -0.303122D+00  0.973318D+00 -0.418968D+00
      2  -0.696112D-01 -0.303122D+00  0.449387D+00  0.456584D-02  0.351296D+00
      3  -0.732689D-01  0.973318D+00  0.456584D-02  0.693967D-01  0.358948D-01
                86            87            88            89            90 
      1   0.351296D+00  0.358948D-01  0.182174D+01  0.205094D+00 -0.505406D+00
      2   0.728188D-01  0.107786D+01  0.205094D+00  0.172124D+01 -0.521015D+00
      3   0.107786D+01 -0.631045D+00 -0.505406D+00 -0.521015D+00  0.802021D+01
                91            92            93            94            95 
      1  -0.107350D+00 -0.464586D+00  0.959627D+00 -0.320592D+00  0.576039D+00
      2  -0.464586D+00  0.501617D+00  0.583697D-01  0.576039D+00  0.416719D+00
      3   0.959627D+00  0.583697D-01  0.447296D-01  0.938146D-01  0.100658D+01
                96            97            98            99           100 
      1   0.938146D-01  0.181065D+01 -0.718274D-01  0.348616D+00  0.406978D+01
      2   0.100658D+01 -0.718274D-01  0.179617D+01  0.375384D+00  0.505637D+00
      3   0.201015D-01  0.348616D+00  0.375384D+00  0.786663D+01 -0.909908D+00
               101           102           103           104           105 
      1   0.505637D+00 -0.909908D+00 -0.307062D+00  0.413023D+01  0.668348D-01
      2   0.585298D+01 -0.116189D+00  0.413023D+01  0.223158D+01 -0.901323D+00
      3  -0.116189D+00  0.446262D+00  0.668348D-01 -0.901323D+00 -0.937202D+00
               106           107           108           109           110 
      1  -0.119835D+01 -0.320418D+00  0.843295D+00  0.290083D+01  0.264598D+00
      2  -0.320418D+00 -0.264247D+01  0.100360D+01  0.264598D+00 -0.230543D+01
      3   0.843295D+00  0.100360D+01  0.286002D-01  0.174171D+01  0.421214D+00
               111           112           113           114           115 
      1   0.174171D+01  0.522993D+00 -0.432413D+01  0.508150D-01  0.232898D+01
      2   0.421214D+00 -0.432413D+01 -0.288290D+01  0.128624D+01 -0.227023D+00
      3   0.145071D+01  0.508150D-01  0.128624D+01 -0.692502D+00 -0.737816D+00
               116           117           118           119           120 
      1  -0.227023D+00 -0.737816D+00  0.108709D+01  0.218555D+00 -0.101388D+01
      2   0.155571D+01 -0.159125D+01  0.218555D+00 -0.323753D+00  0.664356D-01
      3  -0.159125D+01 -0.818747D+01 -0.101388D+01  0.664356D-01  0.743459D+00
               121           122           123           124           125 
      1   0.192057D+00 -0.423449D+00 -0.280697D+00 -0.213859D+01 -0.202819D+00
      2  -0.423449D+00 -0.194697D-01 -0.100450D+01 -0.202819D+00 -0.157508D+01
      3  -0.280697D+00 -0.100450D+01  0.146495D+00  0.102225D+01  0.204426D+00
               126           127           128           129           130 
      1   0.102225D+01 -0.106550D+01 -0.144024D+01  0.206930D+00 -0.172225D+01
      2   0.204426D+00 -0.144024D+01 -0.136395D+01  0.233331D+00 -0.153681D+01
      3  -0.782266D+01  0.206930D+00  0.233331D+00 -0.301427D+00 -0.110706D+00
               131           132           133           134           135 
      1  -0.153681D+01 -0.110706D+00 -0.245829D+00 -0.191155D+00 -0.151765D+00
      2  -0.868636D+01 -0.414579D+00 -0.191155D+00 -0.223064D+01  0.112335D+01
      3  -0.414579D+00  0.135966D+01 -0.151765D+00  0.112335D+01 -0.587529D+01
               136           137           138           139           140 
      1   0.180467D+00  0.899681D-01 -0.114998D+01  0.112939D+00 -0.460138D+00
      2   0.899681D-01 -0.260348D+00 -0.193528D+00 -0.460138D+00 -0.103397D+01
      3  -0.114998D+01 -0.193528D+00 -0.166008D+00  0.194602D-01 -0.980552D+00
               141           142           143           144           145 
      1   0.194602D-01 -0.178294D+01 -0.504287D+00 -0.445392D+00 -0.935341D+01
      2  -0.980552D+00 -0.504287D+00 -0.187037D+01 -0.152466D+01  0.197679D+01
      3  -0.259973D+00 -0.445392D+00 -0.152466D+01 -0.817830D+01 -0.511843D+00
               146           147           148           149           150 
      1   0.197679D+01 -0.511843D+00  0.192563D-01 -0.734103D+00  0.196450D-01
      2  -0.211287D+01 -0.797670D-01 -0.734103D+00  0.365660D+00 -0.243106D+00
      3  -0.797670D-01 -0.132027D+01  0.196450D-01 -0.243106D+00  0.167983D+00
               151           152           153           154           155 
      1  -0.163929D+01  0.310603D+00 -0.104938D+01 -0.302234D+01 -0.215734D+01
      2   0.310603D+00 -0.581797D+00  0.407442D+00 -0.215734D+01 -0.240400D+01
      3  -0.104938D+01  0.407442D+00 -0.107080D+00  0.140490D+00  0.138404D-01
               156           157           158           159           160 
      1   0.140490D+00 -0.463761D+01 -0.341193D+01 -0.199929D+00  0.751717D+00
      2   0.138404D-01 -0.341193D+01 -0.602021D+01  0.209537D+00  0.343867D+00
      3  -0.678574D+00 -0.199929D+00  0.209537D+00 -0.108417D+01 -0.837862D+00
               161           162           163           164           165 
      1   0.343867D+00 -0.837862D+00 -0.204633D+01  0.149383D+01  0.229569D+00
      2   0.693110D+00 -0.656728D+00  0.149383D+01 -0.401346D+01  0.717650D-01
      3  -0.656728D+00 -0.221327D-01  0.229569D+00  0.717650D-01 -0.502809D+00
               166           167           168           169           170 
      1   0.184151D+01 -0.147406D+01 -0.100284D+00  0.390394D+00 -0.154805D+00
      2  -0.147406D+01  0.739603D+01  0.135063D+00 -0.154805D+00  0.830772D+00
      3  -0.100284D+00  0.135063D+00  0.113395D+01 -0.143983D+00  0.960513D+00
               171           172           173           174           175 
      1  -0.143983D+00  0.779922D+01 -0.237965D+01 -0.138036D+01 -0.990353D+00
      2   0.960513D+00 -0.237965D+01  0.330944D+01 -0.484608D-01  0.348715D+01
      3  -0.103737D+00 -0.138036D+01 -0.484608D-01  0.249976D+00 -0.941842D-02
               176           177           178           179           180 
      1   0.348715D+01 -0.941842D-02 -0.239982D+01  0.692122D+00  0.169379D+01
      2   0.197170D+01 -0.676383D+00  0.692122D+00 -0.144379D+01 -0.528071D+00
      3  -0.676383D+00  0.103088D+01  0.169379D+01 -0.528071D+00 -0.464238D+00
               181           182           183           184           185 
      1  -0.341984D+00  0.339808D+00  0.106023D+01 -0.289100D+00  0.739587D+00
      2   0.339808D+00  0.253450D+00 -0.100415D+00  0.739587D+00  0.481975D+00
      3   0.106023D+01 -0.100415D+00 -0.281617D+00 -0.794903D-02  0.984789D+00
               186           187           188           189           190 
      1  -0.794903D-02  0.239473D+01 -0.180629D+00  0.139808D+01  0.276822D+01
      2   0.984789D+00 -0.180629D+00  0.150841D+01  0.126953D+01  0.211589D+01
      3  -0.118185D+00  0.139808D+01  0.126953D+01  0.876131D+01 -0.686092D+00
               191           192           193           194           195 
      1   0.211589D+01 -0.686092D+00  0.338516D+01  0.282814D+01 -0.210692D+00
      2   0.219773D+01 -0.215216D+00  0.282814D+01  0.560664D+01 -0.841865D+00
      3  -0.215216D+00  0.604452D+00 -0.210692D+00 -0.841865D+00  0.863054D+00
               196           197           198           199           200 
      1  -0.163185D+01 -0.406338D+00  0.927876D+00 -0.189240D+00 -0.487759D+00
      2  -0.406338D+00 -0.155071D+01  0.106342D+01 -0.487759D+00  0.267879D+00
      3   0.927876D+00  0.106342D+01 -0.144917D+00  0.495930D+00 -0.256994D+00
               201           202           203           204           205 
      1   0.495930D+00 -0.399609D+00 -0.189244D-01  0.480340D-01  0.147548D+01
      2  -0.256994D+00 -0.189244D-01 -0.147696D+01  0.832072D+00  0.383432D+00
      3   0.623801D+00  0.480340D-01  0.832072D+00 -0.900644D+00 -0.171624D+00
               206           207           208           209           210 
      1   0.383432D+00 -0.171624D+00 -0.169969D+01 -0.507229D+00  0.226250D+00
      2   0.352839D+01 -0.295505D+01 -0.507229D+00 -0.159761D+01  0.197970D-02
      3  -0.295505D+01  0.658596D+01  0.226250D+00  0.197970D-02  0.127848D-02
               211           212           213           214           215 
      1  -0.257987D+01  0.197044D+00  0.178922D+00  0.549695D+00  0.733523D-01
      2   0.197044D+00 -0.625274D+01  0.168538D+00  0.733523D-01  0.811596D+00
      3   0.178922D+00  0.168538D+00 -0.131784D+01  0.258415D+00 -0.705128D+00
               216 
      1   0.258415D+00
      2  -0.705128D+00
      3   0.393393D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124949D+01  0.128599D+00 -0.820478D+00 -0.171754D+01  0.746869D+00
      2   0.159978D+01 -0.284154D+00  0.323271D+00 -0.286300D+00  0.241295D+01
      3  -0.367196D+01 -0.177316D+01 -0.116096D+01  0.334924D+01  0.189023D+01
                 6             7             8             9            10 
      1  -0.287119D+00  0.174449D+00  0.413469D+01 -0.807690D+01  0.863686D+00
      2   0.484506D+00 -0.294696D+01  0.280977D+00 -0.910878D+01 -0.192638D+01
      3  -0.207510D+00  0.208661D+00 -0.156559D+01 -0.822259D+00  0.807610D+00
                11            12            13            14            15 
      1  -0.767901D+00 -0.592597D+00  0.379724D+00 -0.167443D+01 -0.601168D+00
      2  -0.128026D+01  0.155537D+01 -0.145599D+00 -0.257430D+01 -0.187345D+01
      3  -0.589992D+01 -0.856505D+00  0.373798D-01 -0.377737D+00  0.210258D+01
                16            17            18            19            20 
      1  -0.932506D+00  0.243557D+01 -0.457770D+01 -0.889406D+00 -0.290145D+00
      2  -0.334401D+01 -0.135065D+01  0.120049D+02 -0.129696D+01  0.290656D+00
      3  -0.147892D+01  0.134495D+01  0.924280D+00  0.185250D+01  0.811475D+00
                21            22            23            24            25 
      1   0.649124D+00 -0.410070D+00 -0.192924D+01 -0.215603D+00  0.135956D+01
      2   0.124675D+01 -0.986282D+00  0.298273D+00 -0.228621D+00 -0.362584D+01
      3   0.128402D+01  0.628266D+01 -0.474912D+01 -0.125782D+01  0.133103D+01
                26            27            28            29            30 
      1   0.263371D+01  0.964653D+01  0.848667D+00 -0.484625D+00  0.159664D+01
      2  -0.576525D-01 -0.200448D+01 -0.182355D+01 -0.709790D+00 -0.795972D+00
      3   0.417344D+00 -0.963696D+00 -0.605702D+01 -0.895772D+01 -0.215747D+00
                31            32            33            34            35 
      1  -0.123101D+01  0.108205D+01  0.227878D+01  0.176459D+01  0.325451D+01
      2  -0.776869D+00 -0.162141D+01 -0.238798D+01 -0.501440D+01  0.206139D+01
      3  -0.699723D+01 -0.272500D+01  0.227541D+01 -0.358909D+00  0.124107D+01
                36            37            38            39            40 
      1  -0.377650D+01  0.110207D+01  0.514216D+00 -0.333538D+01  0.906775D+00
      2   0.160969D+02  0.733663D+00  0.460172D+00  0.922498D+01  0.247109D+00
      3  -0.419777D+00 -0.903138D+01 -0.711027D+01 -0.104060D+01  0.120881D+02
                41            42            43            44            45 
      1   0.695618D+00 -0.638157D+01  0.266670D+01  0.475622D+01 -0.643953D+00
      2   0.138083D+01  0.248945D+01 -0.539302D+01 -0.261568D+01  0.434499D+00
      3   0.557575D+01 -0.102285D+01 -0.379820D+01 -0.223001D+01 -0.338021D+00
                46            47            48            49            50 
      1  -0.826321D+00  0.893274D-01  0.251766D+01 -0.349948D+00 -0.939442D+00
      2   0.113893D+01  0.238620D+00 -0.585984D+01 -0.601939D+00  0.142986D+01
      3   0.327905D+01  0.569916D+01  0.132415D+01  0.328653D+01  0.125374D+01
                51            52            53            54            55 
      1  -0.173506D+01 -0.162558D+01  0.246279D+01  0.142594D+02 -0.305058D+01
      2   0.327450D+00 -0.442741D+01 -0.170668D+01 -0.958525D+01 -0.665313D+01
      3  -0.142176D+01  0.302908D+01 -0.148006D+01  0.427203D-01  0.156993D+02
                56            57            58            59            60 
      1   0.989852D-01  0.454365D+00  0.154760D+01 -0.215270D+01 -0.549104D+01
      2   0.198821D+01  0.146443D+01  0.451474D+00 -0.199265D+01 -0.264554D+01
      3  -0.213633D+01  0.242510D+01  0.820992D+01  0.907088D+01  0.967611D+00
                61            62            63            64            65 
      1   0.301469D+00  0.120152D+01 -0.194874D+01  0.684667D+00 -0.131426D+00
      2  -0.410942D+01 -0.141421D+01 -0.196804D+01  0.160921D+01 -0.350827D+00
      3   0.547766D+01  0.362569D+01  0.147329D+01  0.869822D+00 -0.133824D+01
                66            67            68            69            70 
      1  -0.566784D+00 -0.191764D+00  0.140113D+01 -0.815032D+00 -0.141159D+00
      2   0.901386D+00 -0.100947D+00  0.740609D+00  0.339024D+00 -0.395362D+01
      3  -0.603100D+00  0.105884D+01 -0.490052D+00 -0.907393D+00 -0.206333D+01
                71            72            73            74            75 
      1   0.380451D+01  0.765156D+01 -0.174149D+01 -0.830517D+00 -0.106588D+00
      2  -0.335323D+00  0.877955D+01  0.371044D+01  0.194268D+01  0.588573D+01
      3  -0.186198D+01  0.611364D+00  0.787598D+01 -0.331413D+01  0.234374D+00
                76            77            78            79            80 
      1  -0.264574D+01 -0.290132D+01 -0.819491D+00  0.681729D+00  0.403653D+01
      2   0.962881D+00  0.345065D+01 -0.230979D+01 -0.438208D+00 -0.452894D+00
      3   0.489313D+01  0.195232D+02 -0.208280D+01  0.142364D+01 -0.523605D+01
                81            82            83            84            85 
      1  -0.652104D+00  0.354786D+00  0.428180D+00  0.577622D+00  0.691891D+00
      2   0.224003D+01 -0.192897D+01 -0.355147D-01  0.399621D+00  0.272780D+00
      3   0.620380D+00 -0.828030D-01 -0.173322D+00 -0.248787D+00  0.177040D+01
                86            87            88            89            90 
      1   0.731015D+00 -0.192463D+01  0.169969D+00  0.429019D+01  0.286338D+01
      2  -0.161519D+01  0.406260D+00 -0.362405D+01  0.604348D+00 -0.122919D+02
      3   0.336682D+00  0.108824D+01 -0.606947D+00  0.280619D+01 -0.938172D-01
                91            92            93            94            95 
      1  -0.161137D+01  0.651313D-01  0.277522D+00 -0.206446D+00 -0.140781D+01
      2   0.252233D+00  0.795398D+00  0.786760D+00  0.703679D+00  0.232850D+00
      3   0.113412D+00 -0.173031D+01  0.108356D+01  0.498066D+00  0.508401D+00
                96            97            98            99           100 
      1  -0.540991D+00 -0.484530D+00  0.384020D+01 -0.983801D+01  0.233546D+01
      2  -0.386583D+00 -0.482132D+01  0.109788D+00  0.177784D+01  0.201931D+00
      3  -0.112179D+00  0.252316D+01 -0.910435D+00  0.323858D+00  0.141740D+02
               101           102           103           104           105 
      1  -0.921893D+00 -0.360197D+01 -0.539724D+00  0.472949D+01 -0.389674D+01
      2  -0.157815D+01  0.323427D+01  0.454479D+00  0.599956D+00  0.159288D+01
      3  -0.110875D+02 -0.173460D+01 -0.924680D+00  0.962516D+01  0.110516D+01
               106           107           108           109           110 
      1  -0.227998D+01  0.225334D+01  0.194527D+01 -0.190755D+01 -0.120726D+01
      2  -0.221330D+01  0.102622D+01 -0.467737D+00  0.393659D+01  0.146454D+01
      3  -0.450567D+01  0.143635D+01  0.114674D+01  0.346753D+01  0.620047D+01
               111           112           113           114           115 
      1  -0.257420D+01 -0.259351D+01 -0.325339D+01  0.738571D+00  0.119935D+00
      2   0.275058D+01  0.185269D+01  0.507461D+01  0.586620D-01 -0.677236D+01
      3  -0.728940D+00  0.160426D+02  0.512227D+01 -0.383424D+01  0.102312D+01
               116           117           118           119           120 
      1   0.212843D+01  0.532923D+01  0.320040D+00  0.490556D+00  0.423938D+00
      2  -0.422338D+01 -0.217497D+02 -0.116347D+01  0.280994D+00  0.218157D+01
      3  -0.506458D+01  0.426501D+01 -0.102576D+00  0.264592D+00 -0.507617D+00
               121           122           123           124           125 
      1   0.239301D+00  0.675800D-01 -0.768778D+00 -0.816609D-01  0.401160D+01
      2  -0.436894D+00 -0.165303D+01  0.255933D+00 -0.366048D+01 -0.153831D-01
      3   0.270765D+01 -0.709053D+00  0.153100D+01 -0.231666D+00  0.292735D+01
               126           127           128           129           130 
      1   0.250911D+01  0.131105D+00  0.166341D-01 -0.195675D+01 -0.330861D-01
      2  -0.116717D+02  0.110002D+00 -0.185090D+01  0.513646D+01  0.471987D+00
      3  -0.111895D+01  0.296534D+01 -0.224719D+01  0.826117D+00  0.997379D+01
               131           132           133           134           135 
      1  -0.180280D+00 -0.371361D+01  0.488664D+00  0.658614D+01 -0.185115D+02
      2   0.153480D+00 -0.140877D+00  0.279799D+00 -0.950745D+00  0.499198D+01
      3  -0.442046D+01 -0.155853D-01  0.609807D+00 -0.558468D+00  0.195305D+01
               136           137           138           139           140 
      1  -0.205666D+01 -0.209129D+00 -0.536506D+00  0.333547D+00 -0.116013D+01
      2   0.980752D+00  0.252998D+00  0.102733D+01  0.703411D+00  0.711431D+00
      3  -0.846317D-01 -0.179727D+01  0.198690D+01  0.284757D+00  0.373086D+00
               141           142           143           144           145 
      1  -0.983304D+00 -0.110764D+00  0.270804D+01 -0.124086D+02  0.177028D+01
      2   0.303843D-02 -0.413472D+01  0.859150D+00  0.728771D+01  0.527611D+01
      3  -0.547479D+00  0.337634D+01 -0.410700D+00  0.562926D+00 -0.193709D+02
               146           147           148           149           150 
      1   0.162357D-01  0.260579D+01 -0.192837D-02  0.621699D+00 -0.531009D-01
      2  -0.678571D+00  0.473827D+01  0.119366D+00  0.555578D+00 -0.128726D+00
      3  -0.318142D+01 -0.182401D+01 -0.178776D+01 -0.257870D+01 -0.689935D+00
               151           152           153           154           155 
      1   0.196969D+01  0.152843D+00  0.231596D+00  0.108650D+01  0.112957D+01
      2   0.232528D+01 -0.979914D+00  0.738913D+00 -0.999873D+00 -0.766319D+00
      3  -0.411495D+01 -0.130888D+01 -0.125533D+01 -0.492333D+01 -0.622159D+01
               156           157           158           159           160 
      1  -0.117377D+01  0.184439D+01  0.290043D+01 -0.237266D+01 -0.116500D+01
      2   0.200517D+01 -0.944114D+00 -0.229920D+01  0.388190D+01  0.111920D+01
      3  -0.172269D+00 -0.471402D+01 -0.205803D+02  0.116435D+01 -0.641804D-01
               161           162           163           164           165 
      1  -0.175613D-01  0.429799D+00 -0.146206D+01  0.130486D+01  0.241052D+01
      2   0.197157D+01  0.116929D+00 -0.322544D+00  0.758682D+00 -0.973128D-01
      3   0.287215D+01 -0.984023D+00 -0.112328D+02  0.804457D+01  0.109281D+01
               166           167           168           169           170 
      1   0.114080D+01 -0.230974D+01 -0.402842D+01  0.608652D+00 -0.178933D+01
      2   0.399831D+00 -0.100565D+01 -0.242601D+00 -0.105834D+01  0.162208D+00
      3   0.922677D+01 -0.117424D+02 -0.550560D+00  0.220488D+01 -0.137549D+01
               171           172           173           174           175 
      1  -0.371496D-01 -0.410838D+00 -0.565848D+00  0.361087D+01  0.426338D+00
      2  -0.279501D+00 -0.464687D+01  0.114784D+01  0.669022D+01 -0.130355D+01
      3  -0.951774D+00  0.164196D+01 -0.190708D+02 -0.923288D-01 -0.108512D+02
               176           177           178           179           180 
      1  -0.263285D+01 -0.337955D+01 -0.231696D+00  0.432390D+01 -0.196959D+01
      2  -0.232972D+01 -0.221647D-01  0.242191D+01 -0.168073D+01 -0.262696D+01
      3  -0.100063D+02  0.256921D+01  0.272032D+00  0.589006D+01  0.152300D+01
               181           182           183           184           185 
      1  -0.289272D+00 -0.565157D-01 -0.322052D-01  0.327280D+00 -0.257147D+00
      2   0.406192D+01 -0.769953D+00 -0.384977D+00 -0.193616D+00  0.255366D+01
      3  -0.135121D+01 -0.120463D+01  0.736109D+00 -0.952294D+00 -0.986752D+00
               186           187           188           189           190 
      1  -0.116646D+00 -0.110204D+01  0.363409D+01 -0.421654D+01  0.148774D+01
      2  -0.300802D+00 -0.148842D+01  0.407018D+01  0.240022D+02 -0.251034D+01
      3  -0.240835D+01  0.167679D+01 -0.436485D+01 -0.338090D+01 -0.427433D+01
               191           192           193           194           195 
      1   0.816830D+00 -0.134973D+01  0.116929D+01  0.230589D+01 -0.269022D+01
      2  -0.110783D+01  0.282248D+01 -0.115454D+01 -0.350851D+01  0.337784D+01
      3  -0.636806D+01  0.259892D+00 -0.363052D+01 -0.168527D+02  0.263247D+01
               196           197           198           199           200 
      1  -0.964222D+00 -0.127274D+00  0.477431D+00  0.156810D+01 -0.402581D+00
      2   0.177996D+01  0.318696D+01 -0.736216D+00 -0.120199D+01 -0.256679D+00
      3  -0.284130D+00  0.493161D+01 -0.256171D+01 -0.667782D+00  0.607921D+00
               201           202           203           204           205 
      1   0.218939D+01  0.188033D+00  0.313220D+01 -0.287866D+01 -0.608832D+00
      2  -0.728798D+00 -0.650127D+00 -0.121379D+01  0.101094D+01 -0.277480D+01
      3  -0.147407D+01  0.100473D+01 -0.129285D+01  0.688807D+00 -0.411054D+01
               206           207           208           209           210 
      1  -0.645365D+01  0.208516D+02  0.442950D+00  0.768722D+00 -0.666492D+00
      2   0.277923D+01 -0.592315D+01  0.103584D+01 -0.144971D+00 -0.850465D+00
      3   0.212681D+01 -0.264003D+01  0.736697D+01  0.818651D+01 -0.401117D+00
               211           212           213           214           215 
      1   0.552473D+00  0.257765D+01 -0.298124D+01  0.159959D+00 -0.463848D+00
      2   0.941104D+00  0.218716D+00 -0.356075D+01 -0.816058D+00 -0.206725D+01
      3   0.583368D+01  0.249705D+02 -0.895988D+00 -0.153874D+01 -0.325248D+01
               216 
      1   0.269928D+00
      2  -0.228533D+00
      3   0.208368D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.728591D+01 -0.127487D+01  0.218542D+00  0.559711D+01 -0.106695D+01
      2  -0.661860D+01  0.973643D+01 -0.975036D+00  0.157274D+01 -0.564916D+01
      3  -0.667316D+00 -0.846156D+01  0.756493D+00 -0.716985D+01  0.671611D+01
      4   0.713528D+01 -0.121176D+02 -0.137254D+01 -0.160307D+02  0.861817D+01
      5   0.328210D+01 -0.171391D+01 -0.217643D+01 -0.369716D+01  0.151125D+01
      6  -0.111636D+01  0.291058D+01  0.247733D+01  0.316810D+01 -0.313661D+01
                 6             7             8             9            10 
      1   0.344130D+00  0.369192D+01  0.712530D+00  0.708744D+01 -0.194891D+02
      2   0.807984D-01  0.114510D+01 -0.568244D+01  0.513595D+01  0.962144D+01
      3  -0.424929D+00 -0.483702D+01  0.496991D+01 -0.122234D+02  0.986763D+01
      4   0.221188D+01 -0.395843D+01  0.743591D+01  0.106652D+01 -0.639950D+01
      5   0.204989D+01  0.154159D+01  0.223797D+01 -0.216410D+02 -0.671545D+01
      6  -0.463008D+01  0.113107D+01  0.224190D+00  0.191663D+02 -0.114148D+01
                11            12            13            14            15 
      1  -0.708864D+01 -0.134603D+01 -0.932784D+01  0.670194D+01  0.107256D+01
      2   0.311607D+01  0.399941D+01  0.589026D+01 -0.214171D+01 -0.390292D+00
      3   0.397257D+01 -0.265339D+01  0.343758D+01 -0.456024D+01 -0.682265D+00
      4  -0.205963D+01 -0.671782D+00  0.643354D+01  0.236903D+01 -0.542714D+00
      5  -0.141069D+01 -0.743765D+00 -0.195005D+00  0.719962D-02 -0.433452D+01
      6  -0.215907D+01  0.111077D+01 -0.604350D+00 -0.909872D+00 -0.933005D+00
                16            17            18            19            20 
      1  -0.119360D+02 -0.257764D+01  0.888239D+01 -0.967413D+01  0.748257D+01
      2   0.602735D+01 -0.241384D+00  0.517435D+01  0.684501D+01 -0.125146D+02
      3   0.590870D+01  0.281903D+01 -0.140567D+02  0.282913D+01  0.503201D+01
      4  -0.129207D+01 -0.948936D+00 -0.159885D+01  0.152535D+01 -0.303525D+01
      5   0.589922D+00 -0.232301D+01  0.302255D+02  0.172169D+01  0.127991D+01
      6   0.133724D+00 -0.191402D+00  0.122575D+02  0.762783D+00  0.167156D+01
                21            22            23            24            25 
      1  -0.107291D+01  0.468726D+01  0.403784D+01 -0.321893D+01 -0.184232D+01
      2  -0.116932D+01 -0.100916D+02 -0.100505D+02  0.559652D+00  0.399058D+01
      3   0.224222D+01  0.540432D+01  0.601267D+01  0.265927D+01 -0.214826D+01
      4   0.903683D+00 -0.479880D+01 -0.103974D+02 -0.238621D+00  0.281090D+01
      5  -0.151444D+01  0.181062D+01  0.123516D+01 -0.741994D+00  0.101778D+01
      6  -0.147932D+01 -0.298885D+00  0.455551D+01 -0.320343D+01 -0.140946D+01
                26            27            28            29            30 
      1  -0.356928D+01  0.485832D+01 -0.101271D+02 -0.131935D+01 -0.347204D+01
      2   0.812755D+01  0.910184D+01  0.384268D+01  0.797505D+00  0.242170D+01
      3  -0.455826D+01 -0.139602D+02  0.628441D+01  0.521846D+00  0.105034D+01
      4   0.266077D+01 -0.145873D+00 -0.662746D+01 -0.990448D+00 -0.221019D+01
      5   0.799150D-01 -0.481178D+01 -0.543703D+01 -0.139300D+01 -0.585154D+01
      6   0.235612D+01 -0.236990D+02 -0.257187D+01 -0.725772D-01 -0.273580D+01
                31            32            33            34            35 
      1   0.143035D+01  0.152244D+02  0.100479D+00 -0.330504D+01  0.839608D-01
      2   0.156127D+00 -0.157241D+02 -0.186025D+01 -0.797600D+00 -0.253867D+01
      3  -0.158648D+01  0.499658D+00  0.175977D+01  0.410264D+01  0.245471D+01
      4  -0.484100D+01  0.328629D+00 -0.196773D+01  0.729191D+00 -0.838586D+00
      5   0.188655D+01 -0.155449D+01 -0.617442D+01 -0.160464D+01  0.793484D+00
      6   0.102754D+00  0.117713D+01 -0.556361D+01 -0.155499D+01  0.497935D+00
                36            37            38            39            40 
      1   0.591033D+01  0.166296D+02 -0.341937D+01 -0.959629D+00 -0.149110D+01
      2   0.636769D+01 -0.109837D+02  0.334385D+01 -0.153623D+01  0.902121D+00
      3  -0.122780D+02 -0.564594D+01  0.755259D-01  0.249586D+01  0.588980D+00
      4   0.138591D+01 -0.762109D+01  0.111321D+02 -0.140745D+01  0.119895D+02
      5   0.293031D+02  0.202550D+01 -0.233230D-01  0.145118D+02 -0.153472D+01
      6   0.406926D+01 -0.702740D+00  0.207750D+01  0.672938D+01 -0.450567D-01
                41            42            43            44            45 
      1  -0.114640D+02  0.306240D+01  0.518104D+01  0.323735D+01 -0.328365D+01
      2   0.163865D+02 -0.442773D+00 -0.530836D+01 -0.324229D+01 -0.332145D+01
      3  -0.492254D+01 -0.261963D+01  0.127319D+00  0.494221D-02  0.660510D+01
      4  -0.608349D+00  0.108255D+01 -0.399998D+01  0.146570D+01 -0.236412D+01
      5   0.453883D+00  0.593962D+01  0.541698D+01 -0.242584D+00  0.579968D+00
      6  -0.328477D+01  0.915002D+01 -0.522971D+00  0.467245D+01  0.200437D+01
                46            47            48            49            50 
      1  -0.168977D+02  0.915147D+01  0.455166D+01 -0.220670D+01  0.716064D+01
      2   0.153820D+02 -0.103691D+02 -0.104391D+01 -0.282192D+01 -0.191578D+02
      3   0.151577D+01  0.121763D+01 -0.350775D+01  0.502863D+01  0.119972D+02
      4   0.470041D+01 -0.582617D+01  0.369884D+00 -0.101296D+02 -0.101995D+02
      5  -0.148865D+00 -0.244852D+00 -0.109278D+02  0.153402D+01  0.589139D+00
      6  -0.175685D+00 -0.283527D+01 -0.600624D+01  0.796882D+00  0.163353D+01
                51            52            53            54            55 
      1  -0.395184D+00  0.194316D+01  0.161076D+00  0.626237D+01 -0.237748D+02
      2   0.478437D+00  0.653175D+00  0.722498D+01  0.851716D+01  0.173082D+02
      3  -0.832527D-01 -0.259633D+01 -0.738606D+01 -0.147795D+02  0.646653D+01
      4   0.138796D+01  0.287156D+01 -0.124581D+00  0.910551D+00  0.666829D+01
      5   0.106177D+01 -0.168323D+01 -0.127590D+01 -0.161549D+02 -0.693048D+01
      6  -0.146612D+01 -0.607013D+00  0.359870D-01 -0.324115D+02  0.699124D+01
                56            57            58            59            60 
      1  -0.210623D+00 -0.511564D+01 -0.594665D+01 -0.891238D+01 -0.370349D+01
      2  -0.489633D+01  0.369823D+01 -0.383606D+01  0.253798D+02  0.227770D+01
      3   0.510695D+01  0.141741D+01  0.978271D+01 -0.164674D+02  0.142578D+01
      4   0.160175D+02  0.499355D+01  0.254085D+02 -0.318126D+02 -0.500260D+01
      5   0.193669D+01  0.461785D+01  0.256554D+01 -0.512789D+01 -0.462323D+01
      6  -0.202869D+01 -0.872750D+00 -0.281751D+01  0.711576D+01  0.100638D+02
                61            62            63            64            65 
      1  -0.942640D+01 -0.240253D+01 -0.447543D+01 -0.494137D+00 -0.504793D+00
      2   0.322439D+01  0.693027D+01  0.136161D+01 -0.222465D+01 -0.547521D+00
      3   0.620201D+01 -0.452773D+01  0.311382D+01  0.271879D+01  0.105231D+01
      4   0.134877D+02 -0.117775D+02 -0.610067D+01 -0.571993D+00  0.341987D+01
      5   0.619165D+01 -0.704776D+01 -0.417214D+01  0.282243D+01 -0.728387D+00
      6  -0.389268D+01  0.104032D+02  0.427047D+01 -0.209982D+01 -0.442113D+00
                66            67            68            69            70 
      1   0.282493D+01 -0.241055D+00 -0.272331D+01  0.194051D+01  0.323584D+01
      2  -0.142657D+01 -0.773950D+00  0.654085D+00 -0.267806D+01 -0.228984D+01
      3  -0.139836D+01  0.101500D+01  0.206923D+01  0.737555D+00 -0.945995D+00
      4  -0.228592D+01  0.315267D+01 -0.112870D+01  0.258922D+01 -0.384427D+01
      5   0.637738D+01  0.151799D+00  0.232949D+01  0.390364D-01  0.456835D+01
      6   0.831800D+00  0.474874D+00 -0.316694D+01  0.702290D+01 -0.122791D+01
                71            72            73            74            75 
      1   0.298767D+01 -0.148901D+02  0.532125D+02 -0.282548D+00  0.426624D+01
      2  -0.258025D+01 -0.136282D+02 -0.336700D+02 -0.170781D+01 -0.552179D+01
      3  -0.407416D+00  0.285184D+02 -0.195425D+02  0.199036D+01  0.125555D+01
      4   0.425211D+01 -0.129078D+01  0.273931D+01  0.121571D+01  0.199919D+01
      5  -0.178980D+01  0.197988D+02  0.979139D+01  0.187346D+01  0.100141D+02
      6   0.503808D+01 -0.186047D+02  0.131512D+01  0.117115D+01 -0.249381D+00
                76            77            78            79            80 
      1  -0.148984D+02 -0.543509D+01 -0.146244D+01  0.162268D+02  0.241507D+01
      2   0.538549D+01 -0.146772D+01  0.188727D+01 -0.105002D+02  0.391405D+00
      3   0.951289D+01  0.690282D+01 -0.424837D+00 -0.572658D+01 -0.280648D+01
      4  -0.102530D+02 -0.277724D+02  0.415481D+01  0.575140D+01  0.771152D+01
      5  -0.181880D+00  0.518644D+01 -0.360658D+01  0.138278D+02  0.732679D+00
      6  -0.341254D+00  0.574548D+00  0.248724D+01  0.187606D+01  0.281373D+01
                81            82            83            84            85 
      1   0.512658D+01  0.217035D+01  0.126410D+01 -0.461470D+01  0.133545D+01
      2  -0.776314D+01 -0.382751D+01 -0.811680D+00  0.230570D+01 -0.746967D+00
      3   0.263656D+01  0.165716D+01 -0.452416D+00  0.230900D+01 -0.588481D+00
      4   0.678940D+00  0.102798D+01  0.641621D+00 -0.699681D+00  0.124539D+01
      5   0.497243D+01 -0.378828D+01 -0.231720D+00  0.567902D+01  0.940871D-01
      6   0.107313D+01 -0.706277D+00  0.400774D+00 -0.810750D+00 -0.895508D+00
                86            87            88            89            90 
      1  -0.440211D+01  0.168528D+01 -0.581117D+01  0.132212D+01 -0.154438D+02
      2   0.791665D+00 -0.119080D+01  0.458019D+01 -0.869512D+00 -0.144407D+02
      3   0.361044D+01 -0.494478D+00  0.123099D+01 -0.452608D+00  0.298845D+02
      4   0.205248D+00 -0.369896D+01 -0.222947D+01 -0.492501D+01  0.117326D+01
      5  -0.385382D+01  0.122152D+01  0.561332D+01  0.202015D+01 -0.281263D+02
      6  -0.183726D+01  0.857520D+01  0.382739D+00  0.498419D+01 -0.866728D+01
                91            92            93            94            95 
      1   0.165465D+01 -0.113164D+01  0.950438D+00 -0.180543D+01 -0.346688D+01
      2  -0.442908D+01  0.154369D+01 -0.159673D+00  0.205067D+01  0.120965D+01
      3   0.277442D+01 -0.412054D+00 -0.790764D+00 -0.245240D+00  0.225723D+01
      4  -0.391467D+00  0.168803D+01  0.231025D+01  0.186365D+01  0.107417D+01
      5   0.838622D+00  0.494278D+00  0.640609D+01 -0.816478D-01  0.633161D+00
      6   0.289580D+01 -0.208522D-01 -0.338088D+00  0.326715D+00  0.288992D+01
                96            97            98            99           100 
      1  -0.181753D+01  0.899362D+00 -0.431466D+01 -0.154677D+02  0.104481D+02
      2   0.360136D+01 -0.142209D+01  0.536382D+01 -0.152456D+02 -0.519736D+01
      3  -0.178383D+01  0.522726D+00 -0.104916D+01  0.307133D+02 -0.525077D+01
      4   0.916990D+00  0.343566D+01  0.140821D+01  0.193373D+00  0.180793D+02
      5  -0.288421D+00  0.431472D+01  0.125310D+00  0.518361D+01 -0.184080D+01
      6   0.619973D+01  0.105387D+01  0.483991D+01  0.223956D+02 -0.441061D+01
               101           102           103           104           105 
      1  -0.200319D+02  0.611942D+00 -0.115513D+02 -0.406430D+01  0.481687D+01
      2   0.346326D+02  0.120016D+01  0.219161D+02  0.108066D+02 -0.350646D+01
      3  -0.146007D+02 -0.181210D+01 -0.103648D+02 -0.674231D+01 -0.131040D+01
      4   0.119628D+02 -0.360846D+01  0.120769D+02  0.248813D+02 -0.948084D+00
      5  -0.661714D+00  0.621701D+01 -0.756691D+00 -0.279177D+01  0.202377D+01
      6  -0.135551D+01  0.545552D+01  0.129246D+00 -0.695552D+01  0.775023D+01
               106           107           108           109           110 
      1  -0.558904D+00  0.935997D+01 -0.430745D+01  0.457909D+01  0.272822D+01
      2  -0.451205D+00 -0.135530D+02  0.168153D+01 -0.533702D+01 -0.194349D+01
      3   0.101011D+01  0.419302D+01  0.262592D+01  0.757931D+00 -0.784730D+00
      4  -0.563299D+01 -0.433035D+01  0.459298D+01  0.720906D+01 -0.167640D+02
      5   0.456811D+01  0.277412D+01 -0.100904D+01  0.129654D+02  0.231201D+01
      6   0.561588D+01  0.103220D+02 -0.417578D+01  0.332794D+01  0.242109D+01
               111           112           113           114           115 
      1   0.517131D+01  0.120782D+02 -0.215199D+02  0.239960D+01  0.140491D+02
      2  -0.588833D+01 -0.959726D+01  0.572657D+01  0.362716D+01 -0.394161D+01
      3   0.717014D+00 -0.248093D+01  0.157934D+02 -0.602676D+01 -0.101075D+02
      4   0.361300D+01 -0.291501D+02 -0.166335D+02  0.685812D+01 -0.217103D+01
      5   0.150423D+01 -0.798328D+00  0.777562D+01  0.128361D+01 -0.437908D+01
      6   0.487126D+01  0.721461D+00  0.144496D+01 -0.368091D+01 -0.826757D+00
               116           117           118           119           120 
      1   0.118487D+01  0.870877D+01  0.371750D+01  0.942408D+00 -0.264271D+01
      2   0.174274D+01  0.110730D+02 -0.493325D+01 -0.852303D+00  0.159236D+01
      3  -0.292761D+01 -0.197818D+02  0.121574D+01 -0.901051D-01  0.105035D+01
      4   0.987808D+01 -0.105912D+02  0.580348D+00  0.143821D+01  0.417917D+00
      5  -0.875804D+01 -0.418239D+02 -0.318459D+01  0.316556D+00  0.841255D+01
      6  -0.651574D+00 -0.340110D+01 -0.214683D+00 -0.257866D-01 -0.456585D+00
               121           122           123           124           125 
      1   0.121549D+01 -0.463913D+01 -0.841542D+00 -0.497488D+01  0.953514D+00
      2  -0.999018D+00  0.148486D+01  0.168288D+00  0.627129D+01  0.353417D-01
      3  -0.216474D+00  0.315427D+01  0.673255D+00 -0.129641D+01 -0.988856D+00
      4   0.172203D+01  0.402875D+00 -0.221698D+01 -0.352505D+00 -0.293076D+01
      5  -0.775886D+00 -0.314765D+01  0.112513D+01  0.717398D+01  0.801266D+00
      6  -0.739908D+00 -0.374787D+00  0.737149D+01  0.853765D+00  0.413190D+01
               126           127           128           129           130 
      1  -0.147664D+02  0.580325D+01 -0.445299D+01  0.121852D+01 -0.111488D+01
      2  -0.148838D+02  0.251394D+01  0.978336D+01 -0.686274D+00  0.739588D+01
      3   0.296502D+02 -0.831719D+01 -0.533037D+01 -0.532246D+00 -0.628100D+01
      4   0.186600D+00  0.679788D+01  0.148319D+02 -0.286437D+00  0.168787D+02
      5  -0.231879D+02 -0.115899D+01 -0.943408D+00  0.577524D+01 -0.111539D+01
      6  -0.256438D+01 -0.736983D+00 -0.200586D+01  0.388140D+01 -0.168318D+00
               131           132           133           134           135 
      1  -0.312652D+02 -0.985785D+00 -0.181276D+00 -0.767396D+01  0.731177D+01
      2   0.584575D+02  0.159198D+01  0.781655D+00  0.665299D+01 -0.155356D+01
      3  -0.271923D+02 -0.606192D+00 -0.600379D+00  0.102097D+01 -0.575821D+01
      4   0.220721D+02  0.420786D-01  0.142013D+01  0.230345D+01  0.267977D+00
      5   0.106123D+00 -0.186919D+00  0.355888D+01 -0.999650D+00  0.900459D+01
      6  -0.333282D-01  0.495566D+01  0.172225D+01 -0.183514D+01  0.310739D+02
               136           137           138           139           140 
      1   0.471465D+00 -0.675471D+00  0.136692D+01 -0.127550D+01 -0.541558D+01
      2  -0.316757D+01  0.673825D+00 -0.252312D+00  0.151982D+01  0.399081D+01
      3   0.269610D+01  0.164622D-02 -0.111461D+01 -0.244315D+00  0.142477D+01
      4  -0.107354D+00  0.310597D+01  0.343951D+01  0.239957D+01  0.192422D+01
      5   0.177514D+01  0.115269D+01  0.758133D+01  0.136717D-01  0.113645D+01
      6   0.416461D+01  0.257137D+00  0.895932D+00  0.128047D+00  0.396972D+01
               141           142           143           144           145 
      1  -0.191831D+01  0.499516D+00 -0.707763D+01 -0.182584D+02  0.453031D+02
      2   0.365335D+01 -0.651128D+00  0.455051D+01 -0.113290D+02 -0.208365D+02
      3  -0.173504D+01  0.151612D+00  0.252712D+01  0.295873D+02 -0.244666D+02
      4   0.924326D+00  0.446112D+01  0.337335D+01  0.127948D+01 -0.343935D+02
      5  -0.209659D+00  0.499016D+01  0.232824D+01  0.115054D+02  0.175813D+01
      6   0.741018D+01  0.187649D+01  0.951323D+01  0.286436D+02 -0.337459D+01
               146           147           148           149           150 
      1  -0.481535D+01  0.402708D+01  0.238060D+01  0.184442D+01  0.618151D+00
      2  -0.256924D+01 -0.146360D+01 -0.365225D+01  0.101966D+01 -0.769086D+00
      3   0.738459D+01 -0.256348D+01  0.127164D+01 -0.286408D+01  0.150935D+00
      4   0.139007D+02 -0.196136D+01  0.453742D+01 -0.242301D+01  0.100959D+01
      5   0.135057D+00  0.634110D+01 -0.381615D-01  0.101768D+01 -0.521936D+00
      6  -0.350568D+00 -0.464261D+01 -0.755642D-01 -0.762109D+00  0.304743D+00
               151           152           153           154           155 
      1   0.755382D+01 -0.105861D+00  0.346919D+01  0.160687D+02  0.103968D+02
      2  -0.375099D+01 -0.127930D+01 -0.288385D+01 -0.501329D+01 -0.197442D+01
      3  -0.380283D+01  0.138516D+01 -0.585334D+00 -0.110554D+02 -0.842243D+01
      4  -0.628897D+01  0.280813D+01 -0.406301D+01  0.153198D+02  0.168701D+02
      5   0.731860D+01 -0.184178D+01  0.123053D+01 -0.620128D+00 -0.631939D-01
      6  -0.398647D+01  0.252847D+01 -0.410504D+00  0.111946D+00  0.716977D+00
               156           157           158           159           160 
      1  -0.111554D+01  0.218444D+02  0.105892D+02  0.416876D+00 -0.379984D+01
      2   0.297405D+00 -0.630718D+01  0.581642D+01 -0.148881D+01  0.171467D+01
      3   0.818137D+00 -0.155372D+02 -0.164056D+02  0.107193D+01  0.208517D+01
      4  -0.515779D+00  0.275052D+02  0.367127D+02 -0.110930D+01 -0.325135D+01
      5   0.359822D+01  0.799332D+00 -0.158023D+01  0.620833D+01  0.599543D+01
      6   0.144473D+01  0.133886D+01  0.118092D+01  0.287908D+01  0.246617D+01
               161           162           163           164           165 
      1  -0.125299D+01  0.184789D+01 -0.563022D+01  0.161060D+02 -0.227243D+00
      2  -0.533586D+00 -0.158743D+01  0.953909D+01 -0.256234D+02 -0.462149D+00
      3   0.178657D+01 -0.260465D+00 -0.390887D+01  0.951739D+01  0.689392D+00
      4  -0.418615D+01  0.458098D+01 -0.841170D+01  0.715601D+01  0.104113D+01
      5   0.433105D+01  0.144666D+00  0.429328D+00 -0.689698D+00 -0.637453D+00
      6   0.354385D+01 -0.471178D+00  0.131805D+01  0.916645D-01 -0.314475D+01
               166           167           168           169           170 
      1   0.770093D+01 -0.280323D+02 -0.498824D+00  0.740315D+00 -0.358120D+01
      2  -0.117197D+02  0.470097D+02  0.157264D+01 -0.124471D+01  0.534862D+01
      3   0.401882D+01 -0.189774D+02 -0.107382D+01  0.504393D+00 -0.176742D+01
      4   0.813613D+01 -0.578328D+01 -0.211604D+00  0.135471D+01 -0.497012D+00
      5  -0.490199D+00  0.881816D+00  0.344963D+00  0.128464D+01  0.521276D-01
      6  -0.464820D+00  0.851931D+00  0.601806D+01 -0.155181D+01  0.726472D+01
               171           172           173           174           175 
      1  -0.439180D+01  0.621003D+02 -0.910891D+01 -0.683385D+01 -0.934483D+01
      2   0.418629D+01 -0.325963D+02 -0.169237D+01  0.671630D+01  0.924736D+00
      3   0.205501D+00 -0.295041D+02  0.108013D+02  0.117550D+00  0.842009D+01
      4  -0.854727D+00 -0.243439D+02  0.286390D+02  0.840157D+00  0.295332D+02
      5  -0.499147D+00 -0.105971D+02  0.191645D+00  0.131065D+02  0.104380D+01
      6   0.875825D-01  0.946590D+00 -0.770064D+00 -0.456001D+01 -0.453557D+00
               176           177           178           179           180 
      1   0.262026D+02 -0.414684D+01 -0.155232D+02  0.929457D+00  0.740338D+01
      2  -0.164889D+02  0.673333D+00  0.871362D+01  0.159098D+01 -0.983574D+01
      3  -0.971374D+01  0.347351D+01  0.680958D+01 -0.252044D+01  0.243236D+01
      4   0.453074D+01 -0.455162D+01  0.686489D+01 -0.992851D+01 -0.472994D+01
      5  -0.600179D+01  0.495410D+00  0.179094D+02 -0.510268D+01 -0.577287D+01
      6   0.255058D+01  0.720683D+01 -0.381290D+01  0.463262D+01  0.343063D+01
               181           182           183           184           185 
      1  -0.970359D+00  0.158572D+01  0.777779D+01 -0.198497D+01  0.252276D+00
      2  -0.207993D+01 -0.550043D+00 -0.361864D+01  0.174458D+01 -0.142815D+01
      3   0.305029D+01 -0.103567D+01 -0.415915D+01  0.240388D+00  0.117588D+01
      4   0.150661D+01  0.324359D+01  0.164820D-01  0.557263D+01  0.294670D+01
      5   0.649792D+01  0.175854D-01  0.464987D+01  0.208312D-01  0.502556D+01
      6  -0.552858D-01 -0.600021D+00 -0.233182D+00  0.714323D+00  0.985591D+00
               186           187           188           189           190 
      1  -0.106547D+01  0.106607D+02 -0.433224D+01 -0.133286D+02  0.187801D+02
      2   0.448883D+00 -0.910827D+01 -0.113272D+00 -0.182049D+02 -0.672938D+01
      3   0.616582D+00 -0.155243D+01  0.444551D+01  0.315335D+02 -0.120508D+02
      4   0.508559D+01  0.226987D+00  0.782459D+01  0.884517D+01  0.164677D+02
      5  -0.893356D+00  0.130589D+02  0.708786D+01  0.480466D+02 -0.417123D+01
      6   0.597247D+01  0.965012D+00  0.542518D+01  0.452589D+01 -0.100914D+01
               191           192           193           194           195 
      1   0.118174D+02 -0.416426D+01  0.171223D+02  0.893201D+01 -0.561959D+00
      2  -0.363010D+01  0.123873D+01 -0.537692D+01  0.582597D+01 -0.135052D+01
      3  -0.818732D+01  0.292553D+01 -0.117454D+02 -0.147580D+02  0.191248D+01
      4   0.180961D+02 -0.198493D+01  0.226566D+02  0.357760D+02 -0.529342D+01
      5  -0.147206D+01  0.500416D+01 -0.139733D+01 -0.488798D+01  0.569511D+01
      6  -0.389797D+00  0.156166D+01 -0.348172D+00 -0.166096D+01  0.331496D+01
               196           197           198           199           200 
      1  -0.865564D+01 -0.163171D+01  0.197595D+01 -0.138150D+01  0.272380D+01
      2   0.393887D+01 -0.291721D+00 -0.249441D+01  0.917651D+00 -0.255624D+01
      3   0.471676D+01  0.192343D+01  0.518459D+00  0.463847D+00 -0.167562D+00
      4  -0.366175D+01 -0.950265D+01  0.694480D+01  0.720171D+00  0.336423D+01
      5   0.715083D+01  0.708107D+01 -0.153282D+01 -0.495518D+00 -0.106218D+01
      6   0.224502D+01  0.398312D+01 -0.186771D+01 -0.286047D+01  0.164373D+01
               201           202           203           204           205 
      1  -0.245793D+01  0.745917D+00 -0.569715D+01  0.286233D+01 -0.185341D+01
      2   0.130527D+01 -0.460552D+00  0.820325D+01 -0.537144D+01 -0.197455D-02
      3   0.115266D+01 -0.285365D+00 -0.250610D+01  0.250911D+01  0.185538D+01
      4  -0.309735D+01  0.247197D+01  0.135332D+01 -0.131150D+01 -0.647507D+01
      5   0.120425D+01 -0.415222D+00 -0.118320D+01  0.143201D+01  0.250869D+01
      6  -0.390748D+01 -0.364207D+00 -0.597935D+01  0.672415D+01  0.630090D+00
               206           207           208           209           210 
      1   0.133123D+02 -0.166423D+02 -0.860795D+01 -0.791275D+01  0.149580D+01
      2  -0.143060D+02  0.560089D+01  0.608516D+01  0.762664D+01 -0.800784D+00
      3   0.993650D+00  0.110414D+02  0.252279D+01  0.286113D+00 -0.695011D+00
      4  -0.553727D+01  0.309747D+01 -0.132505D+00 -0.833851D+01 -0.229066D+00
      5   0.447169D+01 -0.104294D+02  0.152483D+01  0.542046D+00 -0.183475D+01
      6   0.187443D+02 -0.366868D+02 -0.658075D+00 -0.305975D+00  0.177159D+00
               211           212           213           214           215 
      1  -0.159340D+02 -0.145690D+02  0.155457D+01  0.295725D+01  0.211728D+01
      2   0.889417D+01  0.228010D+02 -0.208729D+01 -0.180228D+01 -0.247037D+01
      3   0.703988D+01 -0.823204D+01  0.532718D+00 -0.115497D+01  0.353094D+00
      4   0.500292D+01 -0.349595D+02  0.117403D+01 -0.256346D+00  0.440548D+01
      5   0.155738D+01  0.223985D+01 -0.733913D+01  0.245051D+01 -0.405875D+01
      6   0.598660D-01 -0.121479D+01  0.338500D+01 -0.821884D-01  0.431489D+01
               216 
      1  -0.179845D+01
      2   0.761742D+00
      3   0.103671D+01
      4  -0.346487D+01
      5  -0.489887D+00
      6  -0.424413D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x         -0.113013D+01     -0.287250D+01     -0.958162D+01
   y         -0.243536D+00     -0.619006D+00     -0.206478D+01
   z          0.571690D+00      0.145309D+01      0.484699D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.102821D+03      0.152364D+02      0.169528D+02
   yx         0.208616D+01      0.309137D+00      0.343962D+00
   yy         0.978111D+02      0.144941D+02      0.161269D+02
   zx         0.263270D+00      0.390126D-01      0.434074D-01
   zy        -0.338801D+00     -0.502051D-01     -0.558608D-01
   zz         0.781635D+02      0.115826D+02      0.128874D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102763D+03      0.152279D+02      0.169434D+02
   aniso      0.238640D+02      0.353628D+01      0.393465D+01
   xx         0.113383D+03      0.168017D+02      0.186944D+02
   yx         0.147698D+01      0.218866D+00      0.243521D+00
   yy         0.107592D+03      0.159435D+02      0.177395D+02
   zx         0.344018D+00      0.509783D-01      0.567210D-01
   zy        -0.386199D+00     -0.572287D-01     -0.636756D-01
   zz         0.873146D+02      0.129387D+02      0.143962D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.54266994          2.02535122          1.29161337
     6         -0.95635198         -0.26567440          2.91046175
     6          0.42874544          2.32943939         -0.77478669
     6          0.65713622         -0.12673095         -2.26956908
     8          1.21589653         -2.17742244         -0.58644082
     6         -0.67563164         -2.60931000          1.24545992
     8         -1.56754017          4.29978237          2.72019065
     1         -3.39174972          1.73724001          0.39438122
     8         -2.95553432         -0.54377077          4.67341486
     1          0.84941378          0.04563134          3.88969116
     1          2.25641581          2.74168966          0.11881756
     8         -0.24524049          4.28506982         -2.47289372
     6          2.76466779         -0.07912372         -4.20702944
     1         -1.13859687         -0.50644186         -3.23503627
     8         -0.01798028         -4.73711711          2.66030487
     1         -2.48581180         -3.06093689          0.34406462
     1         -2.78128510          4.10303366          4.06586480
     1         -2.70414890         -2.11045991          5.57229880
     1         -0.69008841          5.74227380         -1.46977825
     8          2.87030051         -2.35536506         -5.60838635
     1          4.55977624          0.28839379         -3.23345777
     1          2.42446799          1.44801353         -5.54191629
     1          1.70184111         -4.51586438          3.23634673
     1          2.94517143         -3.72569013         -4.40770545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128970D+01      0.327809D+01      0.109345D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.838819D+02      0.124300D+02      0.138303D+02
   yx        -0.282562D+01     -0.418713D+00     -0.465881D+00
   yy         0.965736D+02      0.143107D+02      0.159228D+02
   zx        -0.973500D+01     -0.144258D+01     -0.160508D+01
   zy        -0.307035D+01     -0.454979D+00     -0.506233D+00
   zz         0.983397D+02      0.145724D+02      0.162140D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102763D+03      0.152279D+02      0.169434D+02
   aniso      0.238640D+02      0.353628D+01      0.393465D+01
   xx         0.934915D+02      0.138540D+02      0.154147D+02
   yx        -0.329828D+01     -0.488755D+00     -0.543813D+00
   yy         0.106458D+03      0.157754D+02      0.175525D+02
   zx        -0.103426D+02     -0.153261D+01     -0.170526D+01
   zy        -0.257337D+01     -0.381334D+00     -0.424291D+00
   zz         0.108341D+03      0.160544D+02      0.178630D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-18\Freq\RB3LYP\Gen\C6H12O6\PIERPA\12-Aug-2021\0\\#P B
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 -0.00000673,0.00000747,0.00001239,0.00000729,-0.00000469,0.00000028,0.
 00000029,0.00000306,-0.00000133,0.00001236,0.00000090,-0.00000906,-0.0
 0000058,0.00000334,-0.00000466\\\@


 GETTING A SIMPLE ANSWER FROM A PROFESSOR IS LIKE
 GETTING A THIMBLE OF WATER FROM A FIRE HYDRANT.
     -- PROF. LEN SHAPIRO, NDSU
 Job cpu time:       0 days  4 hours 37 minutes 55.4 seconds.
 Elapsed time:       0 days  0 hours 34 minutes 50.2 seconds.
 File lengths (MBytes):  RWF=    463 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:15:28 2021.
